2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid

C9H16N2O3 — CID 61187489

IUPAC2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C9H16N2O3/c1-2-10(7-8(12)13)9(14)11-5-3-4-6-11/h2-7H2,1H3,(H,12,13)
InChIKeyGJBDDRGXHALSQL-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.61
Rot. Bonds3

About 2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid

2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid (PubChem CID 61187489) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
PubChem CID61187489
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C9H16N2O3/c1-2-10(7-8(12)13)9(14)11-5-3-4-6-11/h2-7H2,1H3,(H,12,13)
InChIKeyGJBDDRGXHALSQL-UHFFFAOYSA-N
XLogP0.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190974
N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide
CID 103101659
2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61195912
2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid
CID 54986151
(2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide
CID 174538699
2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61188372
2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61216523
2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
CID 43655845
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
2-[azepane-1-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258890
2-[(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-ethylamino]acetic acid
CID 107457328
2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid
CID 62967639

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid (CID 61187489) is 2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)N1CCCC1.
What is the InChIKey of 2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid?
The InChIKey is GJBDDRGXHALSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-10(7-8(12)13)9(14)11-5-3-4-6-11/h2-7H2,1H3,(H,12,13).
What are the key properties of 2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid?
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid has a molecular weight of 200.24 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 61187489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).