2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid

C9H18N2O3 — CID 103249845

IUPAC2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid
SMILESNC(CNC1CCCCC1O)C(=O)O
InChIInChI=1S/C9H18N2O3/c10-6(9(13)14)5-11-7-3-1-2-4-8(7)12/h6-8,11-12H,1-5,10H2,(H,13,14)
InChIKeyRJNGYUYZLXLOCL-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.71
Rot. Bonds4

About 2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid

2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid (PubChem CID 103249845) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid
PubChem CID103249845
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid
SMILESNC(CNC1CCCCC1O)C(=O)O
InChIInChI=1S/C9H18N2O3/c10-6(9(13)14)5-11-7-3-1-2-4-8(7)12/h6-8,11-12H,1-5,10H2,(H,13,14)
InChIKeyRJNGYUYZLXLOCL-UHFFFAOYSA-N
XLogP-0.71
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(cyclohexylamino)propanoic acid
CID 64582225
2-[(2-hydroxycyclohexyl)amino]acetic acid
CID 60886714
2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid
CID 64922286
methyl 2-bromo-3-[(2-hydroxycycloheptyl)amino]propanoate
CID 103262920
3-amino-4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4-oxobutanoic acid
CID 107222087
trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol
CID 102731241
2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol
CID 63298849
3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
CID 93346245
benzyl 3-[(2-hydroxycyclohexyl)amino]-2-methylpropanoate
CID 106484006
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
2-(2,2-dimethoxyethylamino)cyclohexan-1-ol
CID 63696910
trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731666

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid (CID 103249845) is 2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid is NC(CNC1CCCCC1O)C(=O)O.
What is the InChIKey of 2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid?
The InChIKey is RJNGYUYZLXLOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c10-6(9(13)14)5-11-7-3-1-2-4-8(7)12/h6-8,11-12H,1-5,10H2,(H,13,14).
What are the key properties of 2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid?
2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.71, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid is sourced from PubChem (CID 103249845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).