3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid

C20H35N3O5 — CID 143356443

IUPAC3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid
SMILESCCCCCCCC(C)C(CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC=O
InChIInChI=1S/C20H35N3O5/c1-3-4-5-6-7-9-15(2)16(12-19(26)27)22-20(28)17-10-8-11-23(17)18(25)13-21-14-24/h14-17H,3-13H2,1-2H3,(H,21,24)(H,22,28)(H,26,27)/t15?,16?,17-/m0/s1
InChIKeyYGXNNEIAWGCONQ-JCYILVPMSA-N
MW397.52 g/mol
LogP1.68
Rot. Bonds14

About 3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid

3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid (PubChem CID 143356443) has the molecular formula C20H35N3O5 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid.

Molecular Properties

Compound Name3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid
PubChem CID143356443
Molecular FormulaC20H35N3O5
Molecular Weight397.52 g/mol
Exact Mass397.26
IUPAC Name3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid
SMILESCCCCCCCC(C)C(CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC=O
InChIInChI=1S/C20H35N3O5/c1-3-4-5-6-7-9-15(2)16(12-19(26)27)22-20(28)17-10-8-11-23(17)18(25)13-21-14-24/h14-17H,3-13H2,1-2H3,(H,21,24)(H,22,28)(H,26,27)/t15?,16?,17-/m0/s1
InChIKeyYGXNNEIAWGCONQ-JCYILVPMSA-N
XLogP1.68
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic 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

acetic acid;(2S)-1-acetyl-N-(3-methyldecan-2-yl)pyrrolidine-2-carboxamide;ethane
CID 143354020
(2S)-2-[[(2S)-1-[2-(butylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 142945754
N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide
CID 171566777
(2S)-3-hydroxy-2-[[(2S)-1-[2-(tetradecanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 175706142
3-[(1-butanoylpiperidine-2-carbonyl)amino]butanoic acid
CID 119221180
3-[[4-amino-2-[(1-decanoylpyrrolidine-2-carbonyl)amino]-4-oxobutanoyl]amino]-4-oxo-4-(propan-2-ylamino)butanoic acid
CID 59065092
1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane
CID 143744079
propan-2-yl N-[2-[(2S)-2-(1,2-dioxohexan-3-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 143350762
5-[2-(methylamino)ethylamino]-5-oxo-4-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]pentanoic acid
CID 149390976
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
1-[3-methyl-2-(propan-2-ylcarbamoylamino)octanoyl]-N-(3-oxobutan-2-yl)pyrrolidine-2-carboxamide
CID 143352335
N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide
CID 152904698

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid?
The IUPAC name of 3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid (CID 143356443) is 3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid.
What is the SMILES notation for 3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid?
The canonical SMILES for 3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid is CCCCCCCC(C)C(CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC=O.
What is the InChIKey of 3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid?
The InChIKey is YGXNNEIAWGCONQ-JCYILVPMSA-N. The full InChI is InChI=1S/C20H35N3O5/c1-3-4-5-6-7-9-15(2)16(12-19(26)27)22-20(28)17-10-8-11-23(17)18(25)13-21-14-24/h14-17H,3-13H2,1-2H3,(H,21,24)(H,22,28)(H,26,27)/t15?,16?,17-/m0/s1.
What are the key properties of 3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid?
3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid has a molecular weight of 397.52 g/mol, XLogP of 1.68, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid is sourced from PubChem (CID 143356443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).