methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate

C14H20N2O4 — CID 59948374

IUPACmethyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate
SMILESCCC[C@H](NC(=O)c1ccc(N)c(OC)c1)C(=O)OC
InChIInChI=1S/C14H20N2O4/c1-4-5-11(14(18)20-3)16-13(17)9-6-7-10(15)12(8-9)19-2/h6-8,11H,4-5,15H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyFGYQKKBRVGLWKC-NSHDSACASA-N
MW280.32 g/mol
LogP1.35
Rot. Bonds6

About methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate

methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate (PubChem CID 59948374) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate
PubChem CID59948374
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate
SMILESCCC[C@H](NC(=O)c1ccc(N)c(OC)c1)C(=O)OC
InChIInChI=1S/C14H20N2O4/c1-4-5-11(14(18)20-3)16-13(17)9-6-7-10(15)12(8-9)19-2/h6-8,11H,4-5,15H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyFGYQKKBRVGLWKC-NSHDSACASA-N
XLogP1.35
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

diethyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]pentanedioate
CID 67926864
methyl (2S)-2-[(4-amino-3-ethoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 67565297
methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate
CID 90859031
methyl 2-[(4-bromo-3-methylbenzoyl)amino]pentanoate
CID 20624229
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide
CID 114160322
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-hydroxypropanoate
CID 9277507
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]pentanoate
CID 20624112
2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid
CID 79726159
methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107211629
methyl (2S)-2-[(4-hexoxybenzoyl)amino]pentanoate
CID 67361411
methyl (2S)-2-[(4-aminobenzoyl)amino]hexanoate
CID 59948600

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate?
The IUPAC name of methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate (CID 59948374) is methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate.
What is the SMILES notation for methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate?
The canonical SMILES for methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate is CCC[C@H](NC(=O)c1ccc(N)c(OC)c1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate?
The InChIKey is FGYQKKBRVGLWKC-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-5-11(14(18)20-3)16-13(17)9-6-7-10(15)12(8-9)19-2/h6-8,11H,4-5,15H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate?
methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate has a molecular weight of 280.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate is sourced from PubChem (CID 59948374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).