methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate

C17H24N2O3 — CID 91059874

IUPACmethyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate
SMILESCOC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cccc(N)c1
InChIInChI=1S/C17H24N2O3/c1-22-17(21)15(10-12-6-3-2-4-7-12)19-16(20)13-8-5-9-14(18)11-13/h5,8-9,11-12,15H,2-4,6-7,10,18H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyGCDYUIIHUKUJQK-OAHLLOKOSA-N
MW304.39 g/mol
LogP2.51
Rot. Bonds5

About methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate

methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate (PubChem CID 91059874) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate
PubChem CID91059874
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate
SMILESCOC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cccc(N)c1
InChIInChI=1S/C17H24N2O3/c1-22-17(21)15(10-12-6-3-2-4-7-12)19-16(20)13-8-5-9-14(18)11-13/h5,8-9,11-12,15H,2-4,6-7,10,18H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyGCDYUIIHUKUJQK-OAHLLOKOSA-N
XLogP2.51
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(3-aminobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 112734855
methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate
CID 90859031
methyl (2R)-2-[(3-aminobenzoyl)amino]-3-methoxypropanoate
CID 91203599
methyl 2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 20624047
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585
methyl (2S)-2-[(4-bromo-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate
CID 59949375
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-cyclohexylpropanoate
CID 20624069
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
methyl (2S)-2-[(3-aminobenzoyl)amino]-3-methylbutanoate
CID 61142781
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate?
The IUPAC name of methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate (CID 91059874) is methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate.
What is the SMILES notation for methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate?
The canonical SMILES for methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate is COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cccc(N)c1.
What is the InChIKey of methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate?
The InChIKey is GCDYUIIHUKUJQK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-22-17(21)15(10-12-6-3-2-4-7-12)19-16(20)13-8-5-9-14(18)11-13/h5,8-9,11-12,15H,2-4,6-7,10,18H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate?
methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate has a molecular weight of 304.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate is sourced from PubChem (CID 91059874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).