(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride

C7H13ClN2O3 — CID 68940110

IUPAC(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.NCC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H12N2O3.ClH/c8-4-6(10)9-3-1-2-5(9)7(11)12;/h5H,1-4,8H2,(H,11,12);1H/t5-;/m0./s1
InChIKeyBCZIUQKIOGTRAA-JEDNCBNOSA-N
MW208.64 g/mol
LogP-0.56
Rot. Bonds2

About (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride

(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 68940110) has the molecular formula C7H13ClN2O3 and a molecular weight of 208.64 g/mol. Its IUPAC name is (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID68940110
Molecular FormulaC7H13ClN2O3
Molecular Weight208.64 g/mol
Exact Mass208.06
IUPAC Name(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.NCC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H12N2O3.ClH/c8-4-6(10)9-3-1-2-5(9)7(11)12;/h5H,1-4,8H2,(H,11,12);1H/t5-;/m0./s1
InChIKeyBCZIUQKIOGTRAA-JEDNCBNOSA-N
XLogP-0.56
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
1-[1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 139211128
(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 13208313
1-[(3S,4S)-6-(2-carboxypyrrolidin-1-yl)-3,4-dihydroxy-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 70274252
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 22717280
1-[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
CID 18490552
1-[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
CID 18490318

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 68940110) is (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride is Cl.NCC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is BCZIUQKIOGTRAA-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H12N2O3.ClH/c8-4-6(10)9-3-1-2-5(9)7(11)12;/h5H,1-4,8H2,(H,11,12);1H/t5-;/m0./s1.
What are the key properties of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride?
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 208.64 g/mol, XLogP of -0.56, 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-carboxylic acid;hydrochloride is sourced from PubChem (CID 68940110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).