1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

C16H29N5O5 — CID 18235595

IUPAC1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(N)C(=O)NCC(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C16H29N5O5/c1-10(18)14(23)19-9-13(22)20-11(5-2-3-7-17)15(24)21-8-4-6-12(21)16(25)26/h10-12H,2-9,17-18H2,1H3,(H,19,23)(H,20,22)(H,25,26)
InChIKeyAECPBKWXYYUVCY-UHFFFAOYSA-N
MW371.44 g/mol
LogP-1.86
Rot. Bonds10

About 1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 18235595) has the molecular formula C16H29N5O5 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
PubChem CID18235595
Molecular FormulaC16H29N5O5
Molecular Weight371.44 g/mol
Exact Mass371.22
IUPAC Name1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(N)C(=O)NCC(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C16H29N5O5/c1-10(18)14(23)19-9-13(22)20-11(5-2-3-7-17)15(24)21-8-4-6-12(21)16(25)26/h10-12H,2-9,17-18H2,1H3,(H,19,23)(H,20,22)(H,25,26)
InChIKeyAECPBKWXYYUVCY-UHFFFAOYSA-N
XLogP-1.86
TPSA167.85 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 5-1.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[2-(2-aminopropanoylamino)acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxylic acid
CID 18235401
1-[2-[[2-(2-aminopropanoylamino)acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
CID 18235671
(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 175769181
1-[1-[6-amino-2-(2-aminopropanoylamino)hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 18237232
1-[2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 18305174
6-amino-2-[[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]hexanoic acid
CID 18238282
1-[2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 18305100
1-[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 18221079
(2S)-1-[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 53308269
1-[5-amino-2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 18237074
1-[4-amino-2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 18236994
6-amino-2-[[1-[2-(2-aminopropanoylamino)-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
CID 18234859

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid (CID 18235595) is 1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid is CC(N)C(=O)NCC(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AECPBKWXYYUVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O5/c1-10(18)14(23)19-9-13(22)20-11(5-2-3-7-17)15(24)21-8-4-6-12(21)16(25)26/h10-12H,2-9,17-18H2,1H3,(H,19,23)(H,20,22)(H,25,26).
What are the key properties of 1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid?
1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 371.44 g/mol, XLogP of -1.86, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 18235595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).