3-amino-1-cyclopropyl-2-hydroxypropan-1-one

C6H11NO2 — CID 89038841

IUPAC3-amino-1-cyclopropyl-2-hydroxypropan-1-one
SMILESNCC(O)C(=O)C1CC1
InChIInChI=1S/C6H11NO2/c7-3-5(8)6(9)4-1-2-4/h4-5,8H,1-3,7H2
InChIKeyMSAXJOVETFCOSP-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.71
Rot. Bonds3

About 3-amino-1-cyclopropyl-2-hydroxypropan-1-one

3-amino-1-cyclopropyl-2-hydroxypropan-1-one (PubChem CID 89038841) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-2-hydroxypropan-1-one.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-2-hydroxypropan-1-one
PubChem CID89038841
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-amino-1-cyclopropyl-2-hydroxypropan-1-one
SMILESNCC(O)C(=O)C1CC1
InChIInChI=1S/C6H11NO2/c7-3-5(8)6(9)4-1-2-4/h4-5,8H,1-3,7H2
InChIKeyMSAXJOVETFCOSP-UHFFFAOYSA-N
XLogP-0.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one
CID 116574057
(2S)-1-cyclopropyl-2-hydroxypropan-1-one
CID 124679592
2-(aminomethyl)-3-cyclohexyl-3-oxopropanoic acid
CID 141155147
4-amino-3-hydroxybutan-2-one
CID 22025309
(2R)-3-amino-2-hydroxypropanoic acid;hydrochloride
CID 87417559
3-amino-N-(cyclobutylmethyl)-2-hydroxypropanamide
CID 115180610
(2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one
CID 59677798
3-amino-2-hydroxypropanoic acid;oxalic acid
CID 162306436
3-amino-N-cyclopropyl-2-hydroxypropanamide;N-propan-2-ylpropanamide
CID 171640381
(4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate
CID 114341418
1-cyclopropyl-2-methylbut-3-en-1-one
CID 15467074
2-amino-1-cyclopropylhexan-1-one
CID 116556854

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-2-hydroxypropan-1-one?
The IUPAC name of 3-amino-1-cyclopropyl-2-hydroxypropan-1-one (CID 89038841) is 3-amino-1-cyclopropyl-2-hydroxypropan-1-one.
What is the SMILES notation for 3-amino-1-cyclopropyl-2-hydroxypropan-1-one?
The canonical SMILES for 3-amino-1-cyclopropyl-2-hydroxypropan-1-one is NCC(O)C(=O)C1CC1.
What is the InChIKey of 3-amino-1-cyclopropyl-2-hydroxypropan-1-one?
The InChIKey is MSAXJOVETFCOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c7-3-5(8)6(9)4-1-2-4/h4-5,8H,1-3,7H2.
What are the key properties of 3-amino-1-cyclopropyl-2-hydroxypropan-1-one?
3-amino-1-cyclopropyl-2-hydroxypropan-1-one has a molecular weight of 129.16 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-2-hydroxypropan-1-one is sourced from PubChem (CID 89038841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).