(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid

C11H14N4O4 — CID 168695925

IUPAC(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
SMILESNC(=O)C1CC(=O)N([C@@H](Cc2cnc[nH]2)C(=O)O)C1
InChIInChI=1S/C11H14N4O4/c12-10(17)6-1-9(16)15(4-6)8(11(18)19)2-7-3-13-5-14-7/h3,5-6,8H,1-2,4H2,(H2,12,17)(H,13,14)(H,18,19)/t6?,8-/m0/s1
InChIKeyDLNAHHHEMJRAMC-XDKWHASVSA-N
MW266.26 g/mol
LogP-1.26
Rot. Bonds5

About (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid

(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 168695925) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID168695925
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
SMILESNC(=O)C1CC(=O)N([C@@H](Cc2cnc[nH]2)C(=O)O)C1
InChIInChI=1S/C11H14N4O4/c12-10(17)6-1-9(16)15(4-6)8(11(18)19)2-7-3-13-5-14-7/h3,5-6,8H,1-2,4H2,(H2,12,17)(H,13,14)(H,18,19)/t6?,8-/m0/s1
InChIKeyDLNAHHHEMJRAMC-XDKWHASVSA-N
XLogP-1.26
TPSA129.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)propanoic acid
CID 168707905
(2S)-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid
CID 168506826
(2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716741
(2R)-2-(2,5-dioxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
CID 6940563
2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
CID 63266239
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid
CID 168695905
3-(1H-imidazol-5-yl)-2-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)propanoic acid
CID 3952205
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(4S)-4-[(2-aminoacetyl)amino]-5-[(3R)-1-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]-2-oxopyrrolidin-3-yl]-5-oxopentanoic acid
CID 75204235
2-(2,5-dimethylpyrrol-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
CID 3154321
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[(3R)-1-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]-5-oxopentanoic acid
CID 75203111

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid (CID 168695925) is (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid is NC(=O)C1CC(=O)N([C@@H](Cc2cnc[nH]2)C(=O)O)C1.
What is the InChIKey of (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is DLNAHHHEMJRAMC-XDKWHASVSA-N. The full InChI is InChI=1S/C11H14N4O4/c12-10(17)6-1-9(16)15(4-6)8(11(18)19)2-7-3-13-5-14-7/h3,5-6,8H,1-2,4H2,(H2,12,17)(H,13,14)(H,18,19)/t6?,8-/m0/s1.
What are the key properties of (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid?
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 266.26 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 168695925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).