2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid

C14H17NO4 — CID 62697280

IUPAC2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
SMILESCOCc1cccc(C(=O)NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C14H17NO4/c1-19-8-9-3-2-4-11(7-9)13(16)15-12(14(17)18)10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyBOSXASBDMFMRCW-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.43
Rot. Bonds6

About 2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid

2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid (PubChem CID 62697280) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
PubChem CID62697280
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
SMILESCOCc1cccc(C(=O)NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C14H17NO4/c1-19-8-9-3-2-4-11(7-9)13(16)15-12(14(17)18)10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyBOSXASBDMFMRCW-UHFFFAOYSA-N
XLogP1.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid
CID 62709870
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
(2S,3R)-3-hydroxy-2-[[3-(methoxymethyl)benzoyl]amino]butanoic acid
CID 104964995
2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
(2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid
CID 63306864
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid
CID 62696710
N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
CID 134045690
2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 119213623

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid (CID 62697280) is 2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid is COCc1cccc(C(=O)NC(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid?
The InChIKey is BOSXASBDMFMRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-8-9-3-2-4-11(7-9)13(16)15-12(14(17)18)10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid?
2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 62697280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).