(2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid

C9H16N2O3 — CID 61207464

IUPAC(2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCCN1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6-4-3-5-11(6)9(14)10-7(2)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t6?,7-/m0/s1
InChIKeyMGXUVQWEMMKVLO-MLWJPKLSSA-N
MW200.24 g/mol
LogP0.65
Rot. Bonds2

About (2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid

(2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid (PubChem CID 61207464) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID61207464
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCCN1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6-4-3-5-11(6)9(14)10-7(2)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t6?,7-/m0/s1
InChIKeyMGXUVQWEMMKVLO-MLWJPKLSSA-N
XLogP0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 78986525
2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200145
(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid
CID 104968084
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61199397
2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 61207647
(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61187523
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420
(2S)-3,3-dimethyl-2-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 61188083
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid
CID 102783165
2-(methylamino)-N-[1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]propanamide
CID 123953640

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid (CID 61207464) is (2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid is CC1CCCN1C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid?
The InChIKey is MGXUVQWEMMKVLO-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6-4-3-5-11(6)9(14)10-7(2)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid?
(2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61207464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).