2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid

C16H32N2O4 — CID 175070006

IUPAC2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(N)C(=O)O.NC(CC1CCCCC1)C(=O)O
InChIInChI=1S/C9H17NO2.C7H15NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-7(2,3)4-5(8)6(9)10/h7-8H,1-6,10H2,(H,11,12);5H,4,8H2,1-3H3,(H,9,10)
InChIKeyNMMRJDLDTXBMBG-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.20
Rot. Bonds5

About 2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid

2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid (PubChem CID 175070006) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
PubChem CID175070006
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Name2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(N)C(=O)O.NC(CC1CCCCC1)C(=O)O
InChIInChI=1S/C9H17NO2.C7H15NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-7(2,3)4-5(8)6(9)10/h7-8H,1-6,10H2,(H,11,12);5H,4,8H2,1-3H3,(H,9,10)
InChIKeyNMMRJDLDTXBMBG-UHFFFAOYSA-N
XLogP2.20
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

3-amino-4-cyclohexylbutan-2-one
CID 20668322
2-amino-3-cyclopropylpropanoic acid
CID 519178
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
(2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167126196
(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167112853
2-amino-3-cyclohexyl-N,N-dimethylpropanamide
CID 83618462
4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentanoic acid
CID 19840695
2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 175252899
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid?
The IUPAC name of 2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid (CID 175070006) is 2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid is CC(C)(C)CC(N)C(=O)O.NC(CC1CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid?
The InChIKey is NMMRJDLDTXBMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C7H15NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-7(2,3)4-5(8)6(9)10/h7-8H,1-6,10H2,(H,11,12);5H,4,8H2,1-3H3,(H,9,10).
What are the key properties of 2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid?
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid has a molecular weight of 316.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid is sourced from PubChem (CID 175070006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).