2-amino-3-(1-cyclohexylpropylamino)propanoic acid

C12H24N2O2 — CID 103249979

IUPAC2-amino-3-(1-cyclohexylpropylamino)propanoic acid
SMILESCCC(NCC(N)C(=O)O)C1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-2-11(9-6-4-3-5-7-9)14-8-10(13)12(15)16/h9-11,14H,2-8,13H2,1H3,(H,15,16)
InChIKeyISAOIEXNCWJOPB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.35
Rot. Bonds6

About 2-amino-3-(1-cyclohexylpropylamino)propanoic acid

2-amino-3-(1-cyclohexylpropylamino)propanoic acid (PubChem CID 103249979) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-3-(1-cyclohexylpropylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-cyclohexylpropylamino)propanoic acid
PubChem CID103249979
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-3-(1-cyclohexylpropylamino)propanoic acid
SMILESCCC(NCC(N)C(=O)O)C1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-2-11(9-6-4-3-5-7-9)14-8-10(13)12(15)16/h9-11,14H,2-8,13H2,1H3,(H,15,16)
InChIKeyISAOIEXNCWJOPB-UHFFFAOYSA-N
XLogP1.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1-cyclopentylethylamino)propanoic acid
CID 103251923
2-amino-4-cyclohexylhexanoic acid
CID 19433409
3-(1-cyclohexylpropylamino)propanamide
CID 62407529
2-amino-3-(cyclohexylamino)propanoic acid
CID 64582225
3-(1-cyclohexylpropylamino)propane-1,2-diol
CID 76943229
2-[(1-cyclohexylpropylamino)methyl]prop-2-enoic acid
CID 103249992
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
N-(1-cyclohexylpropyl)acetamide
CID 45119320
propan-2-yl 2-(1-cyclohexylpropylamino)acetate
CID 62405403
2-(1-cyclohexylpropylamino)-1-phenylethanol
CID 62405750
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol
CID 63490367

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-cyclohexylpropylamino)propanoic acid?
The IUPAC name of 2-amino-3-(1-cyclohexylpropylamino)propanoic acid (CID 103249979) is 2-amino-3-(1-cyclohexylpropylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-cyclohexylpropylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(1-cyclohexylpropylamino)propanoic acid is CCC(NCC(N)C(=O)O)C1CCCCC1.
What is the InChIKey of 2-amino-3-(1-cyclohexylpropylamino)propanoic acid?
The InChIKey is ISAOIEXNCWJOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-11(9-6-4-3-5-7-9)14-8-10(13)12(15)16/h9-11,14H,2-8,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-(1-cyclohexylpropylamino)propanoic acid?
2-amino-3-(1-cyclohexylpropylamino)propanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-cyclohexylpropylamino)propanoic acid is sourced from PubChem (CID 103249979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).