2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid

C10H15N5O3 — CID 55038204

IUPAC2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid
SMILESCn1cnnc1CNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H15N5O3/c1-14-6-12-13-8(14)4-11-10(18)15(5-9(16)17)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,18)(H,16,17)
InChIKeyLPZCTJAKRCMFAV-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.43
Rot. Bonds5

About 2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid

2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 55038204) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid
PubChem CID55038204
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid
SMILESCn1cnnc1CNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H15N5O3/c1-14-6-12-13-8(14)4-11-10(18)15(5-9(16)17)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,18)(H,16,17)
InChIKeyLPZCTJAKRCMFAV-UHFFFAOYSA-N
XLogP-0.43
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79284295
2-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266205
3-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 62119078
2-[cyclopropylmethyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]acetic acid
CID 63330568
2,2-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-3-oxopropanoic acid
CID 82821195
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 63330527
6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-6-oxohexanoic acid
CID 54895602
4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 115584087
2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 82237375
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-oxobutanamide
CID 61004110
2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 103996026
1-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451552

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid (CID 55038204) is 2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid is Cn1cnnc1CNC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is LPZCTJAKRCMFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-14-6-12-13-8(14)4-11-10(18)15(5-9(16)17)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,18)(H,16,17).
What are the key properties of 2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 253.26 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 55038204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).