2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid

C13H21N5O3 — CID 106303744

IUPAC2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid
SMILESCCn1cnnc1CNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H21N5O3/c1-2-18-9-15-17-10(18)8-14-12(21)16-13(7-11(19)20)5-3-4-6-13/h9H,2-8H2,1H3,(H,19,20)(H2,14,16,21)
InChIKeyNMAPKBYZGHTESN-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.88
Rot. Bonds6

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

2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid (PubChem CID 106303744) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid
PubChem CID106303744
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid
SMILESCCn1cnnc1CNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H21N5O3/c1-2-18-9-15-17-10(18)8-14-12(21)16-13(7-11(19)20)5-3-4-6-13/h9H,2-8H2,1H3,(H,19,20)(H2,14,16,21)
InChIKeyNMAPKBYZGHTESN-UHFFFAOYSA-N
XLogP0.88
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 114170931
2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 106303782
3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 106303831
3-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
CID 106303640
2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 106303746
2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 106302145
2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid
CID 106303335
(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-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
CID 106303825
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid (CID 106303744) is 2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid is CCn1cnnc1CNC(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid?
The InChIKey is NMAPKBYZGHTESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-2-18-9-15-17-10(18)8-14-12(21)16-13(7-11(19)20)5-3-4-6-13/h9H,2-8H2,1H3,(H,19,20)(H2,14,16,21).
What are the key properties of 2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid?
2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 106303744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).