(2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid

C8H13N5O4 — CID 80757816

IUPAC(2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCN(Cc1ncn[nH]1)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H13N5O4/c1-13(2-6-9-4-10-12-6)8(17)11-5(3-14)7(15)16/h4-5,14H,2-3H2,1H3,(H,11,17)(H,15,16)(H,9,10,12)/t5-/m1/s1
InChIKeyTYBGSFOZYAAMGU-RXMQYKEDSA-N
MW243.22 g/mol
LogP-1.61
Rot. Bonds5

About (2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid

(2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 80757816) has the molecular formula C8H13N5O4 and a molecular weight of 243.22 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID80757816
Molecular FormulaC8H13N5O4
Molecular Weight243.22 g/mol
Exact Mass243.10
IUPAC Name(2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCN(Cc1ncn[nH]1)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H13N5O4/c1-13(2-6-9-4-10-12-6)8(17)11-5(3-14)7(15)16/h4-5,14H,2-3H2,1H3,(H,11,17)(H,15,16)(H,9,10,12)/t5-/m1/s1
InChIKeyTYBGSFOZYAAMGU-RXMQYKEDSA-N
XLogP-1.61
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]hexanoic acid
CID 107146183
2-methyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 113416605
2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid
CID 64519833
(2R)-3-hydroxy-2-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoylamino]propanoic acid
CID 80756005
(2R)-3-hydroxy-2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106283393
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
3-methyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 64702082
2,2-dimethyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid
CID 113308290
3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 55144045
3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
CID 63648096
2-[methyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 64518111
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid (CID 80757816) is (2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid is CN(Cc1ncn[nH]1)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is TYBGSFOZYAAMGU-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13N5O4/c1-13(2-6-9-4-10-12-6)8(17)11-5(3-14)7(15)16/h4-5,14H,2-3H2,1H3,(H,11,17)(H,15,16)(H,9,10,12)/t5-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 243.22 g/mol, XLogP of -1.61, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 80757816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).