2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid

C14H17NO4 — CID 43655299

IUPAC2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
SMILESCOc1ccccc1C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H17NO4/c1-19-12-5-3-2-4-11(12)14(18)15(9-13(16)17)8-10-6-7-10/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKeyPCHIQPCCEGHRFI-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.63
Rot. Bonds6

About 2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid

2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid (PubChem CID 43655299) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
PubChem CID43655299
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
SMILESCOc1ccccc1C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H17NO4/c1-19-12-5-3-2-4-11(12)14(18)15(9-13(16)17)8-10-6-7-10/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKeyPCHIQPCCEGHRFI-UHFFFAOYSA-N
XLogP1.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324907
N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814632
2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid
CID 81283290
2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid
CID 43655107
N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060542
2-[cyclopropylmethyl-[2-(difluoromethylsulfanyl)benzoyl]amino]acetic acid
CID 43655584
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060538
2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 106860492
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
2-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
CID 45211873
2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid
CID 104792711
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid (CID 43655299) is 2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid is COc1ccccc1C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid?
The InChIKey is PCHIQPCCEGHRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-12-5-3-2-4-11(12)14(18)15(9-13(16)17)8-10-6-7-10/h2-5,10H,6-9H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid?
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 43655299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).