[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid

C8H14N2O3 — CID 155145749

IUPAC[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid
SMILESC[C@@H]1CCC[C@@H](NC(=O)O)C(=O)N1
InChIInChI=1S/C8H14N2O3/c1-5-3-2-4-6(7(11)9-5)10-8(12)13/h5-6,10H,2-4H2,1H3,(H,9,11)(H,12,13)/t5-,6-/m1/s1
InChIKeyAINCYUWTDFGQLN-PHDIDXHHSA-N
MW186.21 g/mol
LogP0.31
Rot. Bonds1

About [(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid

[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid (PubChem CID 155145749) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is [(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid
PubChem CID155145749
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid
SMILESC[C@@H]1CCC[C@@H](NC(=O)O)C(=O)N1
InChIInChI=1S/C8H14N2O3/c1-5-3-2-4-6(7(11)9-5)10-8(12)13/h5-6,10H,2-4H2,1H3,(H,9,11)(H,12,13)/t5-,6-/m1/s1
InChIKeyAINCYUWTDFGQLN-PHDIDXHHSA-N
XLogP0.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2-oxoazepan-3-yl)carbamic acid
CID 18612606
tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate
CID 155351163
2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 62094367
tert-butyl N-[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamate
CID 166571691
[(3S,4S,5S)-4,5-dimethyl-2-oxopyrrolidin-3-yl]carbamic acid
CID 166728578
[(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid
CID 141083733
2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
CID 114897426
(3S,6S)-3-hydroxy-6-methylpiperidin-2-one
CID 55287608
[(10R,14S)-5-amino-4-iodo-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-yl]carbamic acid
CID 90313236
ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
CID 10821898
3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550647
2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382968

Frequently Asked Questions

What is the IUPAC name of [(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid?
The IUPAC name of [(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid (CID 155145749) is [(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid.
What is the SMILES notation for [(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid?
The canonical SMILES for [(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid is C[C@@H]1CCC[C@@H](NC(=O)O)C(=O)N1.
What is the InChIKey of [(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid?
The InChIKey is AINCYUWTDFGQLN-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5-3-2-4-6(7(11)9-5)10-8(12)13/h5-6,10H,2-4H2,1H3,(H,9,11)(H,12,13)/t5-,6-/m1/s1.
What are the key properties of [(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid?
[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid has a molecular weight of 186.21 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid is sourced from PubChem (CID 155145749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).