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

C14H23N3O4 — CID 50851743

IUPAC(4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESNC(=O)CCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C14H23N3O4/c15-12(18)6-7-16-13(19)11-9-21-14(20)17(11)8-10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,15,18)(H,16,19)/t11-/m0/s1
InChIKeyJJLFQSWRTSRXBJ-NSHDSACASA-N
MW297.36 g/mol
LogP0.38
Rot. Bonds6

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

(4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851743) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is (4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851743
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name(4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESNC(=O)CCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C14H23N3O4/c15-12(18)6-7-16-13(19)11-9-21-14(20)17(11)8-10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,15,18)(H,16,19)/t11-/m0/s1
InChIKeyJJLFQSWRTSRXBJ-NSHDSACASA-N
XLogP0.38
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851743) is (4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is NC(=O)CCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1.
What is the InChIKey of (4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is JJLFQSWRTSRXBJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O4/c15-12(18)6-7-16-13(19)11-9-21-14(20)17(11)8-10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,15,18)(H,16,19)/t11-/m0/s1.
What are the key properties of (4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).