methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate

C15H27NO3 — CID 113257909

IUPACmethyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-10(14(18)19-5)16-13(17)11-6-8-12(9-7-11)15(2,3)4/h10-12H,6-9H2,1-5H3,(H,16,17)/t10-,11?,12?/m1/s1
InChIKeyUXKQZYDPAXDUCS-VOMCLLRMSA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds3

About methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate

methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate (PubChem CID 113257909) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate
PubChem CID113257909
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-10(14(18)19-5)16-13(17)11-6-8-12(9-7-11)15(2,3)4/h10-12H,6-9H2,1-5H3,(H,16,17)/t10-,11?,12?/m1/s1
InChIKeyUXKQZYDPAXDUCS-VOMCLLRMSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate with MolForge

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Related Compounds

N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 76948330
ethane;ethyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-oxobutanoate
CID 142190592
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate
CID 79527045
methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride
CID 119726434
methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate
CID 103958175
N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 114316175
2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid
CID 43238721
4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid
CID 43092294
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 62718554
ethyl 2-(cyclopropanecarbonylamino)propanoate
CID 58636709

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate?
The IUPAC name of methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate (CID 113257909) is methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate?
The canonical SMILES for methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate is COC(=O)[C@@H](C)NC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate?
The InChIKey is UXKQZYDPAXDUCS-VOMCLLRMSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10(14(18)19-5)16-13(17)11-6-8-12(9-7-11)15(2,3)4/h10-12H,6-9H2,1-5H3,(H,16,17)/t10-,11?,12?/m1/s1.
What are the key properties of methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate?
methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate has a molecular weight of 269.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate is sourced from PubChem (CID 113257909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).