(2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid

C10H16N4O3 — CID 119369579

IUPAC(2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCc1c(C(=O)N[C@@H](C(=O)O)C(C)C)nnn1C
InChIInChI=1S/C10H16N4O3/c1-5(2)7(10(16)17)11-9(15)8-6(3)14(4)13-12-8/h5,7H,1-4H3,(H,11,15)(H,16,17)/t7-/m1/s1
InChIKeyRSRODILPSTVAAF-SSDOTTSWSA-N
MW240.26 g/mol
LogP-0.04
Rot. Bonds4

About (2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid

(2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 119369579) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid
PubChem CID119369579
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name(2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCc1c(C(=O)N[C@@H](C(=O)O)C(C)C)nnn1C
InChIInChI=1S/C10H16N4O3/c1-5(2)7(10(16)17)11-9(15)8-6(3)14(4)13-12-8/h5,7H,1-4H3,(H,11,15)(H,16,17)/t7-/m1/s1
InChIKeyRSRODILPSTVAAF-SSDOTTSWSA-N
XLogP-0.04
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid (CID 119369579) is (2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid is Cc1c(C(=O)N[C@@H](C(=O)O)C(C)C)nnn1C.
What is the InChIKey of (2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is RSRODILPSTVAAF-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-5(2)7(10(16)17)11-9(15)8-6(3)14(4)13-12-8/h5,7H,1-4H3,(H,11,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 119369579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).