methyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane

C16H31NO4 — CID 142822986

IUPACmethyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane
SMILESCC(C)C.COC(=O)C(O)C(C)NC(=O)C1CCCCC1
InChIInChI=1S/C12H21NO4.C4H10/c1-8(10(14)12(16)17-2)13-11(15)9-6-4-3-5-7-9;1-4(2)3/h8-10,14H,3-7H2,1-2H3,(H,13,15);4H,1-3H3
InChIKeyKHFYIPPYRYOMMC-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.27
Rot. Bonds4

About methyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane

methyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane (PubChem CID 142822986) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is methyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane.

Molecular Properties

Compound Namemethyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane
PubChem CID142822986
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Namemethyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane
SMILESCC(C)C.COC(=O)C(O)C(C)NC(=O)C1CCCCC1
InChIInChI=1S/C12H21NO4.C4H10/c1-8(10(14)12(16)17-2)13-11(15)9-6-4-3-5-7-9;1-4(2)3/h8-10,14H,3-7H2,1-2H3,(H,13,15);4H,1-3H3
InChIKeyKHFYIPPYRYOMMC-UHFFFAOYSA-N
XLogP2.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-4-Cyclohexyl-2-hydroxy-3-[(S)-4-methyl-2-(4-methyl-pentanoylamino)-pentanoylamino]-butyric acid ethyl ester
CID 44272499
(S)-2-((2S,3R)-3-Amino-4-cyclohexyl-2-hydroxy-butyrylamino)-3-methyl-butyric acid methyl ester
CID 44381662
methyl (2S)-3-[(4-ethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoate
CID 129359117
Methyl 2-hydroxy-3-acetamidohexadecanoate
CID 129727830
(2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid
CID 134874959
3-[(4,4-Difluorocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 81930450
2-Hydroxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81931087
Methyl 2-hydroxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate
CID 103490999
Methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate
CID 103879541
Methyl 2-hydroxy-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate
CID 103957811
2-Methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 106107725
(2S)-3-[(4,4-difluorocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 107833155

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane?
The IUPAC name of methyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane (CID 142822986) is methyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane.
What is the SMILES notation for methyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane?
The canonical SMILES for methyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane is CC(C)C.COC(=O)C(O)C(C)NC(=O)C1CCCCC1.
What is the InChIKey of methyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane?
The InChIKey is KHFYIPPYRYOMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4.C4H10/c1-8(10(14)12(16)17-2)13-11(15)9-6-4-3-5-7-9;1-4(2)3/h8-10,14H,3-7H2,1-2H3,(H,13,15);4H,1-3H3.
What are the key properties of methyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane?
methyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane has a molecular weight of 301.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexanecarbonylamino)-2-hydroxybutanoate;2-methylpropane is sourced from PubChem (CID 142822986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).