2-amino-3-(3-nitrosocyclohexyl)propanoic acid

C9H16N2O3 — CID 170636643

IUPAC2-amino-3-(3-nitrosocyclohexyl)propanoic acid
SMILESNC(CC1CCCC(N=O)C1)C(=O)O
InChIInChI=1S/C9H16N2O3/c10-8(9(12)13)5-6-2-1-3-7(4-6)11-14/h6-8H,1-5,10H2,(H,12,13)
InChIKeyTZUVVPLAWDFYPD-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.11
Rot. Bonds4

About 2-amino-3-(3-nitrosocyclohexyl)propanoic acid

2-amino-3-(3-nitrosocyclohexyl)propanoic acid (PubChem CID 170636643) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-amino-3-(3-nitrosocyclohexyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-nitrosocyclohexyl)propanoic acid
PubChem CID170636643
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-amino-3-(3-nitrosocyclohexyl)propanoic acid
SMILESNC(CC1CCCC(N=O)C1)C(=O)O
InChIInChI=1S/C9H16N2O3/c10-8(9(12)13)5-6-2-1-3-7(4-6)11-14/h6-8H,1-5,10H2,(H,12,13)
InChIKeyTZUVVPLAWDFYPD-UHFFFAOYSA-N
XLogP1.11
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167126196
(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167112853
2-amino-3-cyclopropylpropanoic acid
CID 519178
(2S)-2-amino-3-(cyclobutylmethylsulfanyl)propanoic acid
CID 107773580
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
2-amino-3-cyclobutylpropanamide
CID 65458295
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
(2S)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid;hydrochloride
CID 138958473
3-amino-4-cyclohexylbutan-2-one
CID 20668322
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
4-amino-5-cyclobutylpentane-2,3-dione
CID 59655547
(2S)-2-amino-3-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 27281827

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-nitrosocyclohexyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-nitrosocyclohexyl)propanoic acid (CID 170636643) is 2-amino-3-(3-nitrosocyclohexyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-nitrosocyclohexyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-nitrosocyclohexyl)propanoic acid is NC(CC1CCCC(N=O)C1)C(=O)O.
What is the InChIKey of 2-amino-3-(3-nitrosocyclohexyl)propanoic acid?
The InChIKey is TZUVVPLAWDFYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-8(9(12)13)5-6-2-1-3-7(4-6)11-14/h6-8H,1-5,10H2,(H,12,13).
What are the key properties of 2-amino-3-(3-nitrosocyclohexyl)propanoic acid?
2-amino-3-(3-nitrosocyclohexyl)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-nitrosocyclohexyl)propanoic acid is sourced from PubChem (CID 170636643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).