(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid

C11H16N4O4 — CID 69288367

IUPAC(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(O)[C@H]1C(=O)O
InChIInChI=1S/C11H16N4O4/c12-7(3-6-4-13-5-14-6)10(17)15-2-1-8(16)9(15)11(18)19/h4-5,7-9,16H,1-3,12H2,(H,13,14)(H,18,19)/t7-,8?,9-/m0/s1
InChIKeyUBYHZCUDHSNIJD-SMOXQLQSSA-N
MW268.27 g/mol
LogP-1.67
Rot. Bonds4

About (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 69288367) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid
PubChem CID69288367
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(O)[C@H]1C(=O)O
InChIInChI=1S/C11H16N4O4/c12-7(3-6-4-13-5-14-6)10(17)15-2-1-8(16)9(15)11(18)19/h4-5,7-9,16H,1-3,12H2,(H,13,14)(H,18,19)/t7-,8?,9-/m0/s1
InChIKeyUBYHZCUDHSNIJD-SMOXQLQSSA-N
XLogP-1.67
TPSA132.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid
CID 22341678
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
2-amino-3-(1H-imidazol-5-yl)propanoic acid;molybdenum
CID 174573236
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124498
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499
(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
CID 66733727
(2S)-1-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-amino-3-(1H-imidazol-5-yl)propan-1-one
CID 56869213
(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[(2R)-3-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 159191538
(2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 70772401

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid (CID 69288367) is (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid is N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(O)[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is UBYHZCUDHSNIJD-SMOXQLQSSA-N. The full InChI is InChI=1S/C11H16N4O4/c12-7(3-6-4-13-5-14-6)10(17)15-2-1-8(16)9(15)11(18)19/h4-5,7-9,16H,1-3,12H2,(H,13,14)(H,18,19)/t7-,8?,9-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of -1.67, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69288367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).