(2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid

C10H16N2O3 — CID 61174194

IUPAC(2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CNC1CC1
InChIInChI=1S/C10H16N2O3/c13-9(6-11-7-3-4-7)12-5-1-2-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)/t8-/m0/s1
InChIKeyKGMFLCZBASZBRL-QMMMGPOBSA-N
MW212.25 g/mol
LogP-0.19
Rot. Bonds4

About (2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 61174194) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID61174194
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CNC1CC1
InChIInChI=1S/C10H16N2O3/c13-9(6-11-7-3-4-7)12-5-1-2-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)/t8-/m0/s1
InChIKeyKGMFLCZBASZBRL-QMMMGPOBSA-N
XLogP-0.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide
CID 143684092
1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 61157492
1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
1-[(3S,4S)-6-(2-carboxypyrrolidin-1-yl)-3,4-dihydroxy-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 70274252
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
(2S)-1-[2-(butanoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365379
1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 59676020
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
(2S)-1-[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 46182782
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 139391002
(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79281055

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid (CID 61174194) is (2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)CNC1CC1.
What is the InChIKey of (2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KGMFLCZBASZBRL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9(6-11-7-3-4-7)12-5-1-2-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61174194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).