ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide

C8H18N2O4 — CID 178158629

IUPACethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide
SMILESCC.NC(=O)C(CO)NC(=O)CCO
InChIInChI=1S/C6H12N2O4.C2H6/c7-6(12)4(3-10)8-5(11)1-2-9;1-2/h4,9-10H,1-3H2,(H2,7,12)(H,8,11);1-2H3
InChIKeyFFSXAYXVCFZBNM-UHFFFAOYSA-N
MW206.24 g/mol
LogP-1.64
Rot. Bonds5

About ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide

ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide (PubChem CID 178158629) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide.

Molecular Properties

Compound Nameethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide
PubChem CID178158629
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Nameethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide
SMILESCC.NC(=O)C(CO)NC(=O)CCO
InChIInChI=1S/C6H12N2O4.C2H6/c7-6(12)4(3-10)8-5(11)1-2-9;1-2/h4,9-10H,1-3H2,(H2,7,12)(H,8,11);1-2H3
InChIKeyFFSXAYXVCFZBNM-UHFFFAOYSA-N
XLogP-1.64
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-hydroxybutanoylamino)butanamide
CID 167531373
ethane;(2S)-2-(3-hydroxypropanoylamino)-3-methylbutanamide;molecular hydrogen;hydrate
CID 163276289
3-hydroxy-2-(methylamino)propanamide
CID 14241499
(2S)-3-hydroxy-2-(methylamino)propanamide
CID 10486833
methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
CID 90449496
(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide
CID 138624808
N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide
CID 88957287
(2S)-2-(3-hydroxypropanoylamino)propanoic acid
CID 126726083
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
N-[(2R)-1-amino-3-[[3-amino-2-(butanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]butanamide
CID 91328752
(2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide
CID 153393689
(2R)-3-hydroxy-2-(phosphanylamino)propanamide
CID 89122191

Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide?
The IUPAC name of ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide (CID 178158629) is ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide.
What is the SMILES notation for ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide?
The canonical SMILES for ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide is CC.NC(=O)C(CO)NC(=O)CCO.
What is the InChIKey of ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide?
The InChIKey is FFSXAYXVCFZBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4.C2H6/c7-6(12)4(3-10)8-5(11)1-2-9;1-2/h4,9-10H,1-3H2,(H2,7,12)(H,8,11);1-2H3.
What are the key properties of ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide?
ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide has a molecular weight of 206.24 g/mol, XLogP of -1.64, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide is sourced from PubChem (CID 178158629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).