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

C13H23N3O3 — CID 50851792

IUPAC(4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESNCCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C13H23N3O3/c14-6-7-15-12(17)11-9-19-13(18)16(11)8-10-4-2-1-3-5-10/h10-11H,1-9,14H2,(H,15,17)/t11-/m0/s1
InChIKeySIOQQLHPZBYYGE-NSHDSACASA-N
MW269.34 g/mol
LogP0.46
Rot. Bonds5

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

(4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851792) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851792
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESNCCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C13H23N3O3/c14-6-7-15-12(17)11-9-19-13(18)16(11)8-10-4-2-1-3-5-10/h10-11H,1-9,14H2,(H,15,17)/t11-/m0/s1
InChIKeySIOQQLHPZBYYGE-NSHDSACASA-N
XLogP0.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956171
8-Methyl-N-(propan-2-YL)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956174
(3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 97478080
(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 124877387
1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide
CID 164633323
2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide
CID 164640849
N-[1-(cyclohexylmethyl)-3-piperidinyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 45214983
4-(Cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985031
(3R)-N-(cyclohexylmethyl)-4-propylmorpholine-3-carboxamide
CID 60053375
methyl N-[(2S,3S)-3-methoxy-1-oxo-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-2-yl]carbamate
CID 68100629
methyl N-[(2S,3R)-3-methoxy-1-oxo-1-(2-propan-2-ylpyrrolidin-1-yl)butan-2-yl]carbamate
CID 68341315
methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-2-yl]carbamate
CID 69628308

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851792) is (4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is NCCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1.
What is the InChIKey of (4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is SIOQQLHPZBYYGE-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3O3/c14-6-7-15-12(17)11-9-19-13(18)16(11)8-10-4-2-1-3-5-10/h10-11H,1-9,14H2,(H,15,17)/t11-/m0/s1.
What are the key properties of (4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 269.34 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-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).