ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide

C8H18N2O3 — CID 171078131

IUPACethane;N-formyl-3-hydroxy-2-(methylamino)butanamide
SMILESCC.CNC(C(=O)NC=O)C(C)O
InChIInChI=1S/C6H12N2O3.C2H6/c1-4(10)5(7-2)6(11)8-3-9;1-2/h3-5,7,10H,1-2H3,(H,8,9,11);1-2H3
InChIKeyBXOCMFDFVDOWLQ-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.75
Rot. Bonds4

About ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide

ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide (PubChem CID 171078131) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide.

Molecular Properties

Compound Nameethane;N-formyl-3-hydroxy-2-(methylamino)butanamide
PubChem CID171078131
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Nameethane;N-formyl-3-hydroxy-2-(methylamino)butanamide
SMILESCC.CNC(C(=O)NC=O)C(C)O
InChIInChI=1S/C6H12N2O3.C2H6/c1-4(10)5(7-2)6(11)8-3-9;1-2/h3-5,7,10H,1-2H3,(H,8,9,11);1-2H3
InChIKeyBXOCMFDFVDOWLQ-UHFFFAOYSA-N
XLogP-0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
4-hydroxy-3-(methylamino)pentan-2-one
CID 22981507
ethane;[[3-hydroxy-2-(methylamino)butanoyl]amino]methylboronic acid;2-methylpropane
CID 144547756
(2S,3R)-N-[(2S)-4-amino-1,4-dioxobutan-2-yl]-3-hydroxy-2-(methylamino)butanamide
CID 118940542
methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate
CID 11615188
(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide
CID 163858053
(3R)-2-formamido-3-hydroxybutanoic acid
CID 154963962
2-amino-N-formyl-3-methylbutanamide
CID 22035229
(2S,5S,6R)-1,6-dihydroxy-2,5-bis(methylamino)heptane-3,4-dione
CID 58350605
(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
CID 130699535
(2S,3S)-3-formyl-4-methyl-2-(methylamino)pentanoic acid
CID 87990992
4-[[1-(carboxymethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[3-hydroxy-2-(methylamino)butanoyl]amino]-4-oxobutanoic acid
CID 170712256

Frequently Asked Questions

What is the IUPAC name of ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide?
The IUPAC name of ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide (CID 171078131) is ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide.
What is the SMILES notation for ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide?
The canonical SMILES for ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide is CC.CNC(C(=O)NC=O)C(C)O.
What is the InChIKey of ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide?
The InChIKey is BXOCMFDFVDOWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3.C2H6/c1-4(10)5(7-2)6(11)8-3-9;1-2/h3-5,7,10H,1-2H3,(H,8,9,11);1-2H3.
What are the key properties of ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide?
ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide has a molecular weight of 190.24 g/mol, XLogP of -0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide is sourced from PubChem (CID 171078131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).