[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate

C14H17NO4 — CID 7507003

IUPAC[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@@H](C)C(=O)NC2CC2)cc1
InChIInChI=1S/C14H17NO4/c1-9(13(16)15-11-5-6-11)19-14(17)10-3-7-12(18-2)8-4-10/h3-4,7-9,11H,5-6H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyKHWXRFMRBNHUBY-VIFPVBQESA-N
MW263.29 g/mol
LogP1.52
Rot. Bonds5

About [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate (PubChem CID 7507003) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate.

Molecular Properties

Compound Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
PubChem CID7507003
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@@H](C)C(=O)NC2CC2)cc1
InChIInChI=1S/C14H17NO4/c1-9(13(16)15-11-5-6-11)19-14(17)10-3-7-12(18-2)8-4-10/h3-4,7-9,11H,5-6H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyKHWXRFMRBNHUBY-VIFPVBQESA-N
XLogP1.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 4876666
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781150
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193376
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788329
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7487392
bis[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] benzene-1,3-dicarboxylate
CID 9016814
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7887835
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 3637168
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478290
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 46790669

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate?
The IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate (CID 7507003) is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate.
What is the SMILES notation for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate?
The canonical SMILES for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate is COc1ccc(C(=O)O[C@@H](C)C(=O)NC2CC2)cc1.
What is the InChIKey of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate?
The InChIKey is KHWXRFMRBNHUBY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(13(16)15-11-5-6-11)19-14(17)10-3-7-12(18-2)8-4-10/h3-4,7-9,11H,5-6H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate?
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate has a molecular weight of 263.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate is sourced from PubChem (CID 7507003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).