2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid

C12H19N5O3 — CID 106303825

IUPAC2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
SMILESCCn1cnnc1CNC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C12H19N5O3/c1-3-17-7-14-16-9(17)6-13-11(20)15-12(2,10(18)19)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,18,19)(H2,13,15,20)
InChIKeyASEBUSASCFMFPP-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.35
Rot. Bonds6

About 2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid

2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid (PubChem CID 106303825) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
PubChem CID106303825
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
SMILESCCn1cnnc1CNC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C12H19N5O3/c1-3-17-7-14-16-9(17)6-13-11(20)15-12(2,10(18)19)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,18,19)(H2,13,15,20)
InChIKeyASEBUSASCFMFPP-UHFFFAOYSA-N
XLogP0.35
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
CID 106303640
cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320520
1-[[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 114170931
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 106303214
2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 106303782
2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 106302145
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95129786
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084737
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylpropanamide
CID 103813792
(2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 114170932
(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 114170925
2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 106303744

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid (CID 106303825) is 2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid is CCn1cnnc1CNC(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is ASEBUSASCFMFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-3-17-7-14-16-9(17)6-13-11(20)15-12(2,10(18)19)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,18,19)(H2,13,15,20).
What are the key properties of 2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid?
2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 281.32 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 106303825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).