(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid

C14H27N3O3 — CID 107146370

IUPAC(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CC(C)C(N(C)C)C1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-5-6-7-11(13(18)19)15-14(20)17-8-10(2)12(9-17)16(3)4/h10-12H,5-9H2,1-4H3,(H,15,20)(H,18,19)/t10?,11-,12?/m0/s1
InChIKeyLOFXHLXOQRDXHH-CXQJBGSLSA-N
MW285.39 g/mol
LogP1.22
Rot. Bonds6

About (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid

(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid (PubChem CID 107146370) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid
PubChem CID107146370
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CC(C)C(N(C)C)C1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-5-6-7-11(13(18)19)15-14(20)17-8-10(2)12(9-17)16(3)4/h10-12H,5-9H2,1-4H3,(H,15,20)(H,18,19)/t10?,11-,12?/m0/s1
InChIKeyLOFXHLXOQRDXHH-CXQJBGSLSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic 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

(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567351
2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 81474516
(2S)-4-amino-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 81474444
(2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 81474894
2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81082451
2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]hexan-1-one
CID 81465315
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596
2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 102962543
(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107146710
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 107146678
3-(dimethylamino)-N,4-dimethylpyrrolidine-1-carboxamide
CID 115690689
(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567840

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid (CID 107146370) is (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid is CCCC[C@H](NC(=O)N1CC(C)C(N(C)C)C1)C(=O)O.
What is the InChIKey of (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid?
The InChIKey is LOFXHLXOQRDXHH-CXQJBGSLSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-6-7-11(13(18)19)15-14(20)17-8-10(2)12(9-17)16(3)4/h10-12H,5-9H2,1-4H3,(H,15,20)(H,18,19)/t10?,11-,12?/m0/s1.
What are the key properties of (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid?
(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 107146370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).