2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid

C14H17FN2O3 — CID 43656023

IUPAC2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c15-12-5-3-10(4-6-12)7-16-14(20)17(9-13(18)19)8-11-1-2-11/h3-6,11H,1-2,7-9H2,(H,16,20)(H,18,19)
InChIKeyVJLSZXTUYDGDKQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.83
Rot. Bonds6

About 2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid (PubChem CID 43656023) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid
PubChem CID43656023
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c15-12-5-3-10(4-6-12)7-16-14(20)17(9-13(18)19)8-11-1-2-11/h3-6,11H,1-2,7-9H2,(H,16,20)(H,18,19)
InChIKeyVJLSZXTUYDGDKQ-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid (CID 43656023) is 2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid?
The InChIKey is VJLSZXTUYDGDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-12-5-3-10(4-6-12)7-16-14(20)17(9-13(18)19)8-11-1-2-11/h3-6,11H,1-2,7-9H2,(H,16,20)(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid has a molecular weight of 280.30 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 43656023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).