(2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid

C14H25NO4 — CID 173359095

IUPAC(2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid
SMILESCC(C)(OC=O)C(C1CCCCC1)[C@](C)(N)C(=O)O
InChIInChI=1S/C14H25NO4/c1-13(2,19-9-16)11(14(3,15)12(17)18)10-7-5-4-6-8-10/h9-11H,4-8,15H2,1-3H3,(H,17,18)/t11?,14-/m0/s1
InChIKeyBEFIMZVOAQBEHP-IAXJKZSUSA-N
MW271.36 g/mol
LogP1.94
Rot. Bonds6

About (2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid

(2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid (PubChem CID 173359095) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid
PubChem CID173359095
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid
SMILESCC(C)(OC=O)C(C1CCCCC1)[C@](C)(N)C(=O)O
InChIInChI=1S/C14H25NO4/c1-13(2,19-9-16)11(14(3,15)12(17)18)10-7-5-4-6-8-10/h9-11H,4-8,15H2,1-3H3,(H,17,18)/t11?,14-/m0/s1
InChIKeyBEFIMZVOAQBEHP-IAXJKZSUSA-N
XLogP1.94
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexylethyl 2-amino-2-methylpropanoate
CID 175898989
(2S,3S)-2-amino-3-(cyclohexylmethyl)-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 154154666
[amino(cyclohexyl)methyl] formate
CID 175363553
2-amino-4-cyclohexylsulfanyl-2-methylpentanoic acid
CID 64712061
4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908335
2-amino-2-methylpropanoic acid;tert-butylcyclohexane;ethane
CID 162724890
tert-butyl formate;cyclopentanamine;methanamine
CID 177039317
methyl 4-amino-3-cyclooctyl-4-methylpentanoate
CID 114207967
2-cyclopentyloxy-2,5-dimethylhexanoic acid
CID 114988575
tert-butyl 3-cycloheptyl-3-hydroxy-2-methylpropanoate
CID 66338919
bis(2,2-dimethylpropyl) 2-(cyclohexylmethyl)-3-propylbutanedioate
CID 22241893
(2R)-2-amino-2-(2-methylcyclohexyl)propanoic acid
CID 172766899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid (CID 173359095) is (2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid is CC(C)(OC=O)C(C1CCCCC1)[C@](C)(N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid?
The InChIKey is BEFIMZVOAQBEHP-IAXJKZSUSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2,19-9-16)11(14(3,15)12(17)18)10-7-5-4-6-8-10/h9-11H,4-8,15H2,1-3H3,(H,17,18)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid?
(2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid is sourced from PubChem (CID 173359095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).