2-amino-3-(cyclohexylamino)propanoic acid

C9H18N2O2 — CID 64582225

IUPAC2-amino-3-(cyclohexylamino)propanoic acid
SMILESNC(CNC1CCCCC1)C(=O)O
InChIInChI=1S/C9H18N2O2/c10-8(9(12)13)6-11-7-4-2-1-3-5-7/h7-8,11H,1-6,10H2,(H,12,13)
InChIKeyAOQMTBDKQAHJGU-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.32
Rot. Bonds4

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

2-amino-3-(cyclohexylamino)propanoic acid (PubChem CID 64582225) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-3-(cyclohexylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(cyclohexylamino)propanoic acid
PubChem CID64582225
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-3-(cyclohexylamino)propanoic acid
SMILESNC(CNC1CCCCC1)C(=O)O
InChIInChI=1S/C9H18N2O2/c10-8(9(12)13)6-11-7-4-2-1-3-5-7/h7-8,11H,1-6,10H2,(H,12,13)
InChIKeyAOQMTBDKQAHJGU-UHFFFAOYSA-N
XLogP0.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(cycloheptylamino)propanamide
CID 103237250
2-amino-3-(cyclooctylamino)propanamide
CID 103233108
2-amino-3-[(1,1-dioxothian-4-yl)amino]propanoic acid
CID 64583635
2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid
CID 103249845
2-amino-3-(1-cyclopentylethylamino)propanoic acid
CID 103251923
2-amino-3-(1-cyclohexylpropylamino)propanoic acid
CID 103249979
[1-amino-2-(cycloheptylamino)ethyl]phosphonic acid
CID 127049824
2-[(cyclopentylamino)methyl]pentanoic acid
CID 82933542
methyl 2-chloro-3-(cyclohexylamino)propanoate
CID 103845864
methyl 2-chloro-3-(cycloheptylamino)propanoate
CID 103491892
2-amino-3-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43385473
acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate
CID 68737349

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cyclohexylamino)propanoic acid?
The IUPAC name of 2-amino-3-(cyclohexylamino)propanoic acid (CID 64582225) is 2-amino-3-(cyclohexylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(cyclohexylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(cyclohexylamino)propanoic acid is NC(CNC1CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-3-(cyclohexylamino)propanoic acid?
The InChIKey is AOQMTBDKQAHJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-8(9(12)13)6-11-7-4-2-1-3-5-7/h7-8,11H,1-6,10H2,(H,12,13).
What are the key properties of 2-amino-3-(cyclohexylamino)propanoic acid?
2-amino-3-(cyclohexylamino)propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cyclohexylamino)propanoic acid is sourced from PubChem (CID 64582225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).