(3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide

C11H21N3O3 — CID 79523756

IUPAC(3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide
SMILESCC(C)C[C@H](CN)CC(=O)N[C@@H]1CONC1=O
InChIInChI=1S/C11H21N3O3/c1-7(2)3-8(5-12)4-10(15)13-9-6-17-14-11(9)16/h7-9H,3-6,12H2,1-2H3,(H,13,15)(H,14,16)/t8-,9+/m0/s1
InChIKeyGXWNSSOXORKGMW-DTWKUNHWSA-N
MW243.31 g/mol
LogP-0.46
Rot. Bonds6

About (3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide

(3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide (PubChem CID 79523756) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide
PubChem CID79523756
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide
SMILESCC(C)C[C@H](CN)CC(=O)N[C@@H]1CONC1=O
InChIInChI=1S/C11H21N3O3/c1-7(2)3-8(5-12)4-10(15)13-9-6-17-14-11(9)16/h7-9H,3-6,12H2,1-2H3,(H,13,15)(H,14,16)/t8-,9+/m0/s1
InChIKeyGXWNSSOXORKGMW-DTWKUNHWSA-N
XLogP-0.46
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide with MolForge

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Related Compounds

N-(3-oxo-1,2-oxazolidin-4-yl)cyclohexanecarboxamide
CID 44378992
N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 97062029
3-Hydroxy-2-(2-oxo-4-propylpyrrolidin-1-yl)propanamide
CID 22387091
4-methyl-N-(3-oxo-1,2-oxazolidin-4-yl)pyrrolidine-2-carboxamide
CID 123844142
N-(3-oxo-1,2-oxazolidin-4-yl)octanamide
CID 126506654
(2S)-2-[[(2S)-2-acetamido-3-[[(4S)-4-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-5-amino-5-oxopentyl]amino]oxypropanoyl]amino]-6-aminohexanamide
CID 138603084
(2S)-2-amino-N-methoxy-N-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride
CID 168183408
(2S)-2-amino-N-methoxy-N-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
CID 168183409
2-amino-N-methoxy-N-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
CID 169304162
N-(1-amino-3-methoxy-1-oxopropan-2-yl)cyclopentanecarboxamide
CID 75391955
4-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]piperidine-4-carboxamide
CID 79523296
(2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide
CID 79523299

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide (CID 79523756) is (3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide is CC(C)C[C@H](CN)CC(=O)N[C@@H]1CONC1=O.
What is the InChIKey of (3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide?
The InChIKey is GXWNSSOXORKGMW-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(2)3-8(5-12)4-10(15)13-9-6-17-14-11(9)16/h7-9H,3-6,12H2,1-2H3,(H,13,15)(H,14,16)/t8-,9+/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide?
(3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide has a molecular weight of 243.31 g/mol, XLogP of -0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide is sourced from PubChem (CID 79523756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).