(2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate

C16H20BrN2O3- — CID 7305195

IUPAC(2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate
SMILESNc1ccc(Br)cc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-]
InChIInChI=1S/C16H21BrN2O3/c17-11-6-7-13(18)12(9-11)15(20)19-14(16(21)22)8-10-4-2-1-3-5-10/h6-7,9-10,14H,1-5,8,18H2,(H,19,20)(H,21,22)/p-1/t14-/m1/s1
InChIKeyYCYLZNDSFYQUSW-CQSZACIVSA-M
MW368.25 g/mol
LogP1.85
Rot. Bonds5

About (2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate

(2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate (PubChem CID 7305195) has the molecular formula C16H20BrN2O3- and a molecular weight of 368.25 g/mol. Its IUPAC name is (2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate.

Molecular Properties

Compound Name(2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate
PubChem CID7305195
Molecular FormulaC16H20BrN2O3-
Molecular Weight368.25 g/mol
Exact Mass367.07
IUPAC Name(2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate
SMILESNc1ccc(Br)cc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-]
InChIInChI=1S/C16H21BrN2O3/c17-11-6-7-13(18)12(9-11)15(20)19-14(16(21)22)8-10-4-2-1-3-5-10/h6-7,9-10,14H,1-5,8,18H2,(H,19,20)(H,21,22)/p-1/t14-/m1/s1
InChIKeyYCYLZNDSFYQUSW-CQSZACIVSA-M
XLogP1.85
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate?
The IUPAC name of (2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate (CID 7305195) is (2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate.
What is the SMILES notation for (2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate?
The canonical SMILES for (2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate is Nc1ccc(Br)cc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-].
What is the InChIKey of (2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate?
The InChIKey is YCYLZNDSFYQUSW-CQSZACIVSA-M. The full InChI is InChI=1S/C16H21BrN2O3/c17-11-6-7-13(18)12(9-11)15(20)19-14(16(21)22)8-10-4-2-1-3-5-10/h6-7,9-10,14H,1-5,8,18H2,(H,19,20)(H,21,22)/p-1/t14-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate?
(2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate has a molecular weight of 368.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-cyclohexylpropanoate is sourced from PubChem (CID 7305195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).