2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid

C12H18N4O3 — CID 66288762

IUPAC2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid
SMILESCC(C)N(CC1CC1)C(=O)c1cn(CC(=O)O)nn1
InChIInChI=1S/C12H18N4O3/c1-8(2)16(5-9-3-4-9)12(19)10-6-15(14-13-10)7-11(17)18/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyNCCNTTVUPWSUNU-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.62
Rot. Bonds6

About 2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid

2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid (PubChem CID 66288762) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid
PubChem CID66288762
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid
SMILESCC(C)N(CC1CC1)C(=O)c1cn(CC(=O)O)nn1
InChIInChI=1S/C12H18N4O3/c1-8(2)16(5-9-3-4-9)12(19)10-6-15(14-13-10)7-11(17)18/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyNCCNTTVUPWSUNU-UHFFFAOYSA-N
XLogP0.62
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 63284248
2-[4-[methyl-(2-methylcyclohexyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289181
N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide
CID 78968326
2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66290632
2-[4-[methyl(2-propan-2-yloxyethyl)carbamoyl]triazol-1-yl]acetic acid
CID 81062076
2-[4-[2-cyanoethyl(cyclopropyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288353
N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide
CID 115497703
2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66288121
N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide
CID 45183420
2-[4-[methyl(pentyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288728
2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66291027
2-[4-(2-cyclohexylethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290825

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid (CID 66288762) is 2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid is CC(C)N(CC1CC1)C(=O)c1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid?
The InChIKey is NCCNTTVUPWSUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8(2)16(5-9-3-4-9)12(19)10-6-15(14-13-10)7-11(17)18/h6,8-9H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid?
2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 66288762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).