1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid

C19H33N5O7 — CID 18262688

IUPAC1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(NC(=O)C(N)CCC(=O)O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C19H33N5O7/c1-11(22-17(28)12(21)7-8-15(25)26)16(27)23-13(5-2-3-9-20)18(29)24-10-4-6-14(24)19(30)31/h11-14H,2-10,20-21H2,1H3,(H,22,28)(H,23,27)(H,25,26)(H,30,31)
InChIKeyBLJQOEXPXWVZDX-UHFFFAOYSA-N
MW443.50 g/mol
LogP-1.63
Rot. Bonds13

About 1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid

1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 18262688) has the molecular formula C19H33N5O7 and a molecular weight of 443.50 g/mol. Its IUPAC name is 1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid
PubChem CID18262688
Molecular FormulaC19H33N5O7
Molecular Weight443.50 g/mol
Exact Mass443.24
IUPAC Name1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(NC(=O)C(N)CCC(=O)O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C19H33N5O7/c1-11(22-17(28)12(21)7-8-15(25)26)16(27)23-13(5-2-3-9-20)18(29)24-10-4-6-14(24)19(30)31/h11-14H,2-10,20-21H2,1H3,(H,22,28)(H,23,27)(H,25,26)(H,30,31)
InChIKeyBLJQOEXPXWVZDX-UHFFFAOYSA-N
XLogP-1.63
TPSA205.15 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 5-1.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[[6-amino-2-[(2-amino-4-carboxybutanoyl)amino]hexanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
CID 22697105
1-[4-carboxy-2-[[4-carboxy-2-(2,6-diaminohexanoylamino)butanoyl]amino]butanoyl]pyrrolidine-2-carboxylic acid
CID 18304408
1-[2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
CID 18262534
1-[4-carboxy-2-[[3-carboxy-2-(2,6-diaminohexanoylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxylic acid
CID 18303615
1-[2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
CID 18298857
1-[2-[[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
CID 18749603
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid
CID 14752836
(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 175900535
(2R)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 145457004
1-[6-amino-2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-carboxypropanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 18311673
1-[6-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 18247537
2-[[1-[6-amino-2-[(2-amino-4-carboxybutanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
CID 22697273

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid (CID 18262688) is 1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid is CC(NC(=O)C(N)CCC(=O)O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BLJQOEXPXWVZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O7/c1-11(22-17(28)12(21)7-8-15(25)26)16(27)23-13(5-2-3-9-20)18(29)24-10-4-6-14(24)19(30)31/h11-14H,2-10,20-21H2,1H3,(H,22,28)(H,23,27)(H,25,26)(H,30,31).
What are the key properties of 1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid?
1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 443.50 g/mol, XLogP of -1.63, 13 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 18262688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).