(2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide

C7H13N3O3 — CID 103955972

IUPAC(2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide
SMILESNC(=O)CONC(=O)[C@@H]1CCCN1
InChIInChI=1S/C7H13N3O3/c8-6(11)4-13-10-7(12)5-2-1-3-9-5/h5,9H,1-4H2,(H2,8,11)(H,10,12)/t5-/m0/s1
InChIKeyCDLNINAJQIPMLQ-YFKPBYRVSA-N
MW187.20 g/mol
LogP-1.73
Rot. Bonds4

About (2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide

(2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide (PubChem CID 103955972) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is (2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide
PubChem CID103955972
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name(2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide
SMILESNC(=O)CONC(=O)[C@@H]1CCCN1
InChIInChI=1S/C7H13N3O3/c8-6(11)4-13-10-7(12)5-2-1-3-9-5/h5,9H,1-4H2,(H2,8,11)(H,10,12)/t5-/m0/s1
InChIKeyCDLNINAJQIPMLQ-YFKPBYRVSA-N
XLogP-1.73
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide
CID 81433256
N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 18324145
2-(pyrrolidin-2-ylmethylamino)oxyacetamide
CID 106639193
(2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 82724337
(2R)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103870279
N-(fluoromethyl)pyrrolidine-2-carboxamide
CID 123273673
N-(2-amino-2-oxoethoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893629
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009
N-(3-amino-2-hydroxy-3-oxopropyl)pyrrolidine-2-carboxamide
CID 106175824
pyrrolidine-2-carboxamide;dihydrobromide
CID 70056458
N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide
CID 64564189
[(2R)-pyrrolidine-2-carbonyl]carbamic acid
CID 91322472

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide (CID 103955972) is (2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide is NC(=O)CONC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide?
The InChIKey is CDLNINAJQIPMLQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-6(11)4-13-10-7(12)5-2-1-3-9-5/h5,9H,1-4H2,(H2,8,11)(H,10,12)/t5-/m0/s1.
What are the key properties of (2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide?
(2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide has a molecular weight of 187.20 g/mol, XLogP of -1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103955972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).