(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid

C7H12N2O4 — CID 64713362

IUPAC(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C7H12N2O4/c8-2-6(11)9-3-4(10)1-5(9)7(12)13/h4-5,10H,1-3,8H2,(H,12,13)/t4-,5-/m0/s1
InChIKeyZJQXGJBINIMBOY-WHFBIAKZSA-N
MW188.18 g/mol
LogP-2.01
Rot. Bonds2

About (2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 64713362) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID64713362
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C7H12N2O4/c8-2-6(11)9-3-4(10)1-5(9)7(12)13/h4-5,10H,1-3,8H2,(H,12,13)/t4-,5-/m0/s1
InChIKeyZJQXGJBINIMBOY-WHFBIAKZSA-N
XLogP-2.01
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 139211128
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000057
(2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81079737
(2S,4S)-1-[2-(2-aminoethoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79478912
2-[[(2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 175724370
(2R,4R)-1-[2-(2-aminoethoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79479127
1-[2-(2-aminoethoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79473431
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
(2R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778390
(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 30053802

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 64713362) is (2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid is NCC(=O)N1C[C@@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is ZJQXGJBINIMBOY-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H12N2O4/c8-2-6(11)9-3-4(10)1-5(9)7(12)13/h4-5,10H,1-3,8H2,(H,12,13)/t4-,5-/m0/s1.
What are the key properties of (2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64713362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).