2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid

C11H16N4O3 — CID 43655882

IUPAC2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CCn1ccnn1
InChIInChI=1S/C11H16N4O3/c16-10(3-5-15-6-4-12-13-15)14(8-11(17)18)7-9-1-2-9/h4,6,9H,1-3,5,7-8H2,(H,17,18)
InChIKeyGISCWCSEWMIBKW-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.01
Rot. Bonds7

About 2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid

2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid (PubChem CID 43655882) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid
PubChem CID43655882
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CCn1ccnn1
InChIInChI=1S/C11H16N4O3/c16-10(3-5-15-6-4-12-13-15)14(8-11(17)18)7-9-1-2-9/h4,6,9H,1-3,5,7-8H2,(H,17,18)
InChIKeyGISCWCSEWMIBKW-UHFFFAOYSA-N
XLogP-0.01
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid (CID 43655882) is 2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)CCn1ccnn1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid?
The InChIKey is GISCWCSEWMIBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10(3-5-15-6-4-12-13-15)14(8-11(17)18)7-9-1-2-9/h4,6,9H,1-3,5,7-8H2,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid has a molecular weight of 252.27 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 43655882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).