benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate

C17H23NO3 — CID 171356618

IUPACbenzyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO3/c1-13(18-16(19)15-10-6-3-7-11-15)17(20)21-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyPBBFIQFUEAHYGK-CYBMUJFWSA-N
MW289.37 g/mol
LogP2.81
Rot. Bonds5

About benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate

benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate (PubChem CID 171356618) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-(cyclohexanecarbonylamino)propanoate
PubChem CID171356618
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Namebenzyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO3/c1-13(18-16(19)15-10-6-3-7-11-15)17(20)21-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyPBBFIQFUEAHYGK-CYBMUJFWSA-N
XLogP2.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-[(3-oxocyclopentanecarbonyl)amino]propanoate
CID 154865357
benzyl 3-(cyclohexanecarbonylamino)-4-oxopentanoate
CID 10882117
benzyl 2-(cyclopentylamino)propanoate
CID 123711216
benzyl (2S)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate
CID 10155562
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate;hydrochloride
CID 16742165
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
benzyl (2R)-2-[[(1R,2S)-2-[(4R)-4-[[(1R,2S)-2-[(4R)-4-[[(1R,2R)-2-ethylcyclopentanecarbonyl]amino]-3-oxopentyl]cyclopentanecarbonyl]amino]-3-oxopentyl]cyclopentanecarbonyl]amino]propanoate
CID 58271746

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate (CID 171356618) is benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate is C[C@@H](NC(=O)C1CCCCC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is PBBFIQFUEAHYGK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13(18-16(19)15-10-6-3-7-11-15)17(20)21-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 289.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 171356618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).