2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid

C10H18N2O3 — CID 103869567

IUPAC2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)[C@H]1CCCN1
InChIInChI=1S/C10H18N2O3/c1-2-6-12(7-9(13)14)10(15)8-4-3-5-11-8/h8,11H,2-7H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyJWTVBWURUVHBBL-MRVPVSSYSA-N
MW214.26 g/mol
LogP0.06
Rot. Bonds5

About 2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid

2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 103869567) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID103869567
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)[C@H]1CCCN1
InChIInChI=1S/C10H18N2O3/c1-2-6-12(7-9(13)14)10(15)8-4-3-5-11-8/h8,11H,2-7H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyJWTVBWURUVHBBL-MRVPVSSYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
2-[ethyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913780
2-[2-methoxyethyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869714
(2R)-N-ethyl-N-propylpiperidine-2-carboxamide
CID 93272549
2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869277
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide
CID 64563638
(2S)-N,N-dipentylpyrrolidine-2-carboxamide
CID 61165096
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
CID 54558702
N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide
CID 64564571
N-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 53410858
(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide
CID 61156228

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid (CID 103869567) is 2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid is CCCN(CC(=O)O)C(=O)[C@H]1CCCN1.
What is the InChIKey of 2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is JWTVBWURUVHBBL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-6-12(7-9(13)14)10(15)8-4-3-5-11-8/h8,11H,2-7H2,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of 2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid?
2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 103869567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).