N-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane

C8H20N2O2 — CID 144801486

IUPACN-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane
SMILESCC.CCC(=O)NC(CN)CO
InChIInChI=1S/C6H14N2O2.C2H6/c1-2-6(10)8-5(3-7)4-9;1-2/h5,9H,2-4,7H2,1H3,(H,8,10);1-2H3
InChIKeyGXLVSRLKGHMUCX-UHFFFAOYSA-N
MW176.26 g/mol
LogP-0.14
Rot. Bonds4

About N-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane

N-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane (PubChem CID 144801486) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane.

Molecular Properties

Compound NameN-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane
PubChem CID144801486
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC NameN-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane
SMILESCC.CCC(=O)NC(CN)CO
InChIInChI=1S/C6H14N2O2.C2H6/c1-2-6(10)8-5(3-7)4-9;1-2/h5,9H,2-4,7H2,1H3,(H,8,10);1-2H3
InChIKeyGXLVSRLKGHMUCX-UHFFFAOYSA-N
XLogP-0.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide
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ST040666
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N~2~-Acetyl-L-serinamide
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(2S)-2-amino-N-(2-hydroxyethyl)propanamide
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(2S)-2-amino-3-hydroxy-N-(2-hydroxyethyl)propanamide hydrochloride
CID 155819650
1-[3-(Hydroxymethyl)piperazin-1-yl]ethan-1-one hydrochloride
CID 167733181
(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanamide
CID 448665
2-amino-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 93083458
H-Ser-Ala-Ala-NH2
CID 166174528
2-[1-(hydroxymethyl)propylamino]-N-sec-butyl-acetamide
CID 469963

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane?
The IUPAC name of N-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane (CID 144801486) is N-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane.
What is the SMILES notation for N-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane?
The canonical SMILES for N-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane is CC.CCC(=O)NC(CN)CO.
What is the InChIKey of N-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane?
The InChIKey is GXLVSRLKGHMUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C2H6/c1-2-6(10)8-5(3-7)4-9;1-2/h5,9H,2-4,7H2,1H3,(H,8,10);1-2H3.
What are the key properties of N-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane?
N-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane has a molecular weight of 176.26 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane is sourced from PubChem (CID 144801486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).