2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid

C15H19FN2O3 — CID 43656062

IUPAC2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
SMILESCN(Cc1cccc(F)c1)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C15H19FN2O3/c1-17(8-12-3-2-4-13(16)7-12)15(21)18(10-14(19)20)9-11-5-6-11/h2-4,7,11H,5-6,8-10H2,1H3,(H,19,20)
InChIKeyINZFLDMCQUXNSR-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.17
Rot. Bonds6

About 2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid (PubChem CID 43656062) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
PubChem CID43656062
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
SMILESCN(Cc1cccc(F)c1)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C15H19FN2O3/c1-17(8-12-3-2-4-13(16)7-12)15(21)18(10-14(19)20)9-11-5-6-11/h2-4,7,11H,5-6,8-10H2,1H3,(H,19,20)
InChIKeyINZFLDMCQUXNSR-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-fluorophenyl)methyl-methylcarbamoyl]-prop-2-ynylamino]acetic acid
CID 79283124
2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid
CID 61422874
N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide
CID 86976376
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 120783700
5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934884
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 61159892
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 43656045
1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide
CID 115172406
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid (CID 43656062) is 2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid is CN(Cc1cccc(F)c1)C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid?
The InChIKey is INZFLDMCQUXNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-17(8-12-3-2-4-13(16)7-12)15(21)18(10-14(19)20)9-11-5-6-11/h2-4,7,11H,5-6,8-10H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid has a molecular weight of 294.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 43656062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).