1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid

C14H24N4O5 — CID 18492387

IUPAC1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)C(NC(=O)CN)C(=O)NCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C14H24N4O5/c1-8(2)12(17-10(19)6-15)13(21)16-7-11(20)18-5-3-4-9(18)14(22)23/h8-9,12H,3-7,15H2,1-2H3,(H,16,21)(H,17,19)(H,22,23)
InChIKeyNALHGXIJVRCESB-UHFFFAOYSA-N
MW328.37 g/mol
LogP-1.72
Rot. Bonds7

About 1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid

1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 18492387) has the molecular formula C14H24N4O5 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID18492387
Molecular FormulaC14H24N4O5
Molecular Weight328.37 g/mol
Exact Mass328.17
IUPAC Name1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)C(NC(=O)CN)C(=O)NCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C14H24N4O5/c1-8(2)12(17-10(19)6-15)13(21)16-7-11(20)18-5-3-4-9(18)14(22)23/h8-9,12H,3-7,15H2,1-2H3,(H,16,21)(H,17,19)(H,22,23)
InChIKeyNALHGXIJVRCESB-UHFFFAOYSA-N
XLogP-1.72
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]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-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 23320429
2-[[(2S)-2-[[(2S)-1-[2-[(2-aminoacetyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid
CID 46908953
1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid
CID 18492564
1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 18492426
(2S)-1-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 70685975
1-[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid
CID 18491368
(2S)-1-[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 15511159
1-[2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 18485292
2-[[2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 175723917
(2S)-1-[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 10141260
2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylbutanoyl]amino]acetic acid
CID 175723949
1-[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 18236701

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid (CID 18492387) is 1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid is CC(C)C(NC(=O)CN)C(=O)NCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NALHGXIJVRCESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O5/c1-8(2)12(17-10(19)6-15)13(21)16-7-11(20)18-5-3-4-9(18)14(22)23/h8-9,12H,3-7,15H2,1-2H3,(H,16,21)(H,17,19)(H,22,23).
What are the key properties of 1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid?
1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of -1.72, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 18492387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).