2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide

C11H19N3O3 — CID 79523474

IUPAC2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide
SMILESNCC1CCCCC1C(=O)N[C@@H]1CONC1=O
InChIInChI=1S/C11H19N3O3/c12-5-7-3-1-2-4-8(7)10(15)13-9-6-17-14-11(9)16/h7-9H,1-6,12H2,(H,13,15)(H,14,16)/t7?,8?,9-/m1/s1
InChIKeyKTAFHOSHGWRNII-AMDVSUOASA-N
MW241.29 g/mol
LogP-0.70
Rot. Bonds3

About 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide

2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide (PubChem CID 79523474) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide
PubChem CID79523474
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide
SMILESNCC1CCCCC1C(=O)N[C@@H]1CONC1=O
InChIInChI=1S/C11H19N3O3/c12-5-7-3-1-2-4-8(7)10(15)13-9-6-17-14-11(9)16/h7-9H,1-6,12H2,(H,13,15)(H,14,16)/t7?,8?,9-/m1/s1
InChIKeyKTAFHOSHGWRNII-AMDVSUOASA-N
XLogP-0.70
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-1,2-oxazolidin-4-yl)cyclohexanecarboxamide
CID 44378992
N-(3-oxo-1,2-oxazolidin-4-yl)octanamide
CID 126506654
(4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide
CID 153353310
N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylpropanamide
CID 79523472
N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-2-ylpropanamide
CID 79523480
2-(1-aminocyclopentyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide
CID 79523572
4-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide
CID 79523650
7-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]heptanamide
CID 79523748
2-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide
CID 79523751
(3S)-3-(aminomethyl)-5-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide
CID 79523756
3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide
CID 79523835
6-amino-2-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]heptanamide
CID 79523845

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide (CID 79523474) is 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide is NCC1CCCCC1C(=O)N[C@@H]1CONC1=O.
What is the InChIKey of 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide?
The InChIKey is KTAFHOSHGWRNII-AMDVSUOASA-N. The full InChI is InChI=1S/C11H19N3O3/c12-5-7-3-1-2-4-8(7)10(15)13-9-6-17-14-11(9)16/h7-9H,1-6,12H2,(H,13,15)(H,14,16)/t7?,8?,9-/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide?
2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79523474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).