(2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid

C8H12N4O4 — CID 80757819

IUPAC(2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid
SMILESO=C(NCc1cnc[nH]1)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H12N4O4/c13-3-6(7(14)15)12-8(16)10-2-5-1-9-4-11-5/h1,4,6,13H,2-3H2,(H,9,11)(H,14,15)(H2,10,12,16)/t6-/m1/s1
InChIKeyUQEGVXGAYYGOMH-ZCFIWIBFSA-N
MW228.21 g/mol
LogP-1.35
Rot. Bonds5

About (2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid

(2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid (PubChem CID 80757819) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid
PubChem CID80757819
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name(2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid
SMILESO=C(NCc1cnc[nH]1)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H12N4O4/c13-3-6(7(14)15)12-8(16)10-2-5-1-9-4-11-5/h1,4,6,13H,2-3H2,(H,9,11)(H,14,15)(H2,10,12,16)/t6-/m1/s1
InChIKeyUQEGVXGAYYGOMH-ZCFIWIBFSA-N
XLogP-1.35
TPSA127.34 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)butanoic acid
CID 107828209
2-(1H-imidazol-5-ylmethylcarbamoylamino)-5-methoxypentanoic acid
CID 81081195
(2R)-2-(benzylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 11055328
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 61188865
3-(1H-imidazol-5-yl)-2-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 63244544
3-(1H-imidazol-5-yl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 65231297
4-(1H-imidazol-5-ylmethylcarbamoylamino)-2-methylbutanoic acid
CID 80540898
3-(1H-imidazol-5-yl)-2-(3-oxobutylcarbamoylamino)propanoic acid
CID 118534669
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 83113392
(2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
CID 106421215
(2S)-2-(furan-3-ylmethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104874125
(2R)-3-(1H-imidazol-5-yl)-2-(3-methylbut-2-enylcarbamoylamino)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid (CID 80757819) is (2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid is O=C(NCc1cnc[nH]1)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is UQEGVXGAYYGOMH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N4O4/c13-3-6(7(14)15)12-8(16)10-2-5-1-9-4-11-5/h1,4,6,13H,2-3H2,(H,9,11)(H,14,15)(H2,10,12,16)/t6-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid?
(2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 228.21 g/mol, XLogP of -1.35, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 80757819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).