propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate

C11H22N2O4 — CID 168971485

IUPACpropyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate
SMILESCCCOC(=O)N(C)[C@H](C)C(=O)CNCCO
InChIInChI=1S/C11H22N2O4/c1-4-7-17-11(16)13(3)9(2)10(15)8-12-5-6-14/h9,12,14H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyNWAKAFJWWPLCDU-SECBINFHSA-N
MW246.31 g/mol
LogP0.00
Rot. Bonds8

About propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate

propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate (PubChem CID 168971485) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Namepropyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate
PubChem CID168971485
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namepropyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate
SMILESCCCOC(=O)N(C)[C@H](C)C(=O)CNCCO
InChIInChI=1S/C11H22N2O4/c1-4-7-17-11(16)13(3)9(2)10(15)8-12-5-6-14/h9,12,14H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyNWAKAFJWWPLCDU-SECBINFHSA-N
XLogP0.00
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-(2-hydroxyethylamino)acetate
CID 82358534
propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91718896
ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91718895
decyl 2-[methyl(propoxycarbonyl)amino]propanoate
CID 91718697
propyl 2-[methyl(4-methylpentoxycarbonyl)amino]propanoate
CID 91718694
propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
CID 168971437
propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 91747711
pentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoate
CID 91718545
octadecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729786
octyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729777
undecyl 2-[decoxycarbonyl(methyl)amino]propanoate
CID 91737902
tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729783

Frequently Asked Questions

What is the IUPAC name of propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate?
The IUPAC name of propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate (CID 168971485) is propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate.
What is the SMILES notation for propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate?
The canonical SMILES for propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate is CCCOC(=O)N(C)[C@H](C)C(=O)CNCCO.
What is the InChIKey of propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate?
The InChIKey is NWAKAFJWWPLCDU-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-7-17-11(16)13(3)9(2)10(15)8-12-5-6-14/h9,12,14H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate?
propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate has a molecular weight of 246.31 g/mol, XLogP of 0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 168971485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).