(3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride

C7H14ClN3O2 — CID 130670847

IUPAC(3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)CNC(=O)[C@H]1CCNC1
InChIInChI=1S/C7H13N3O2.ClH/c8-6(11)4-10-7(12)5-1-2-9-3-5;/h5,9H,1-4H2,(H2,8,11)(H,10,12);1H/t5-;/m0./s1
InChIKeyLRNFPKHFXWZXST-JEDNCBNOSA-N
MW207.66 g/mol
LogP-1.38
Rot. Bonds3

About (3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride

(3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 130670847) has the molecular formula C7H14ClN3O2 and a molecular weight of 207.66 g/mol. Its IUPAC name is (3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID130670847
Molecular FormulaC7H14ClN3O2
Molecular Weight207.66 g/mol
Exact Mass207.08
IUPAC Name(3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)CNC(=O)[C@H]1CCNC1
InChIInChI=1S/C7H13N3O2.ClH/c8-6(11)4-10-7(12)5-1-2-9-3-5;/h5,9H,1-4H2,(H2,8,11)(H,10,12);1H/t5-;/m0./s1
InChIKeyLRNFPKHFXWZXST-JEDNCBNOSA-N
XLogP-1.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-5-oxopentyl)pyrrolidine-3-carboxamide
CID 106235636
(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 94915781
2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid
CID 63006441
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
(3R)-N-(azetidin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131181581
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
CID 83617629
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
(2R)-N-(2-amino-2-oxoethyl)azetidine-2-carboxamide;hydrochloride
CID 130742026
(3S)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 94915636
N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005211
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 130670847) is (3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.NC(=O)CNC(=O)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is LRNFPKHFXWZXST-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H13N3O2.ClH/c8-6(11)4-10-7(12)5-1-2-9-3-5;/h5,9H,1-4H2,(H2,8,11)(H,10,12);1H/t5-;/m0./s1.
What are the key properties of (3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride?
(3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 207.66 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 130670847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).