(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride

C7H14ClN3O2 — CID 175720359

IUPAC(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NCC(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C7H13N3O2.ClH/c8-4-6(11)10-3-1-2-5(10)7(9)12;/h5H,1-4,8H2,(H2,9,12);1H/t5-;/m0./s1
InChIKeyJOXJDPMWKNLKRT-JEDNCBNOSA-N
MW207.66 g/mol
LogP-1.16
Rot. Bonds2

About (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride

(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 175720359) has the molecular formula C7H14ClN3O2 and a molecular weight of 207.66 g/mol. Its IUPAC name is (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID175720359
Molecular FormulaC7H14ClN3O2
Molecular Weight207.66 g/mol
Exact Mass207.08
IUPAC Name(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NCC(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C7H13N3O2.ClH/c8-4-6(11)10-3-1-2-5(10)7(9)12;/h5H,1-4,8H2,(H2,9,12);1H/t5-;/m0./s1
InChIKeyJOXJDPMWKNLKRT-JEDNCBNOSA-N
XLogP-1.16
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
CID 11042691
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide
CID 76688417
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-propanoylpiperidine-2-carboxamide
CID 60717244
5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 11390539
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
hexane;1-propanoylpyrrolidine-2-carboxamide
CID 145081493

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride (CID 175720359) is (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.NCC(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is JOXJDPMWKNLKRT-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H13N3O2.ClH/c8-4-6(11)10-3-1-2-5(10)7(9)12;/h5H,1-4,8H2,(H2,9,12);1H/t5-;/m0./s1.
What are the key properties of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride?
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 207.66 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 175720359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).