2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid

C10H20N2O3 — CID 103249131

IUPAC2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid
SMILESNC(CNC1(CO)CCCCC1)C(=O)O
InChIInChI=1S/C10H20N2O3/c11-8(9(14)15)6-12-10(7-13)4-2-1-3-5-10/h8,12-13H,1-7,11H2,(H,14,15)
InChIKeyTZXGRLAYSAUMFY-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.32
Rot. Bonds5

About 2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid

2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid (PubChem CID 103249131) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid
PubChem CID103249131
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid
SMILESNC(CNC1(CO)CCCCC1)C(=O)O
InChIInChI=1S/C10H20N2O3/c11-8(9(14)15)6-12-10(7-13)4-2-1-3-5-10/h8,12-13H,1-7,11H2,(H,14,15)
InChIKeyTZXGRLAYSAUMFY-UHFFFAOYSA-N
XLogP-0.32
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
CID 62520820
(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 94468479
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740
[1-(2,2-dimethoxyethylamino)cyclohexyl]methanol
CID 63697255
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate
CID 62520986
3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide
CID 62552043
3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 62625547
3-(1-adamantylamino)-2-aminopropanoic acid
CID 103231283
1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 62522227
2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride
CID 71313292
[1-(2-fluoroethylamino)cyclohexyl]methanol
CID 80694044
2-amino-3-(cyclohexylamino)propanoic acid
CID 64582225

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid?
The IUPAC name of 2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid (CID 103249131) is 2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid?
The canonical SMILES for 2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid is NC(CNC1(CO)CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid?
The InChIKey is TZXGRLAYSAUMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c11-8(9(14)15)6-12-10(7-13)4-2-1-3-5-10/h8,12-13H,1-7,11H2,(H,14,15).
What are the key properties of 2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid?
2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid is sourced from PubChem (CID 103249131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).