(4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C10H19N3O3 — CID 50851191

IUPAC(4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC(C)CN1C(=O)OC[C@H]1C(=O)NCCN
InChIInChI=1S/C10H19N3O3/c1-7(2)5-13-8(6-16-10(13)15)9(14)12-4-3-11/h7-8H,3-6,11H2,1-2H3,(H,12,14)/t8-/m0/s1
InChIKeySJCYXNDVHPFSCP-QMMMGPOBSA-N
MW229.28 g/mol
LogP-0.46
Rot. Bonds5

About (4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851191) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is (4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851191
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name(4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC(C)CN1C(=O)OC[C@H]1C(=O)NCCN
InChIInChI=1S/C10H19N3O3/c1-7(2)5-13-8(6-16-10(13)15)9(14)12-4-3-11/h7-8H,3-6,11H2,1-2H3,(H,12,14)/t8-/m0/s1
InChIKeySJCYXNDVHPFSCP-QMMMGPOBSA-N
XLogP-0.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 75385915
Methyl 2-[2-[methyl(2-methylpropyl)amino]propanoylamino]acetate
CID 75405832
tert-Butyl (4S,5R)-4-carbamoyl-2,2,5-trimethyloxazolidine-3-carboxylate
CID 11470899
tert-butyl (S)-4-carbamoyl-2,2-dimethyloxazolidine-3-carboxylate
CID 53248641
N-(1-fluoropropan-2-yl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 130621492
tert-butyl (4S)-4-carbamoyl-1,3-oxazolidine-3-carboxylate
CID 14934425
tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 22732113
(4S)-4-(morpholin-4-ylcarbonyl)-1,3-oxazolidin-2-one
CID 25054430
tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate
CID 57231236
methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate
CID 58185264
(4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide
CID 58281564
Tert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate
CID 58853916

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851191) is (4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is CC(C)CN1C(=O)OC[C@H]1C(=O)NCCN.
What is the InChIKey of (4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is SJCYXNDVHPFSCP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7(2)5-13-8(6-16-10(13)15)9(14)12-4-3-11/h7-8H,3-6,11H2,1-2H3,(H,12,14)/t8-/m0/s1.
What are the key properties of (4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 229.28 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-aminoethyl)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).