CID 58391087

C7H14NO2 — CID 58391087

IUPAC—
SMILESCOC(=O)[C@@H](C)C[C@H](C)[NH]
InChIInChI=1S/C7H14NO2/c1-5(4-6(2)8)7(9)10-3/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyBBLPCQRQAJDSGT-WDSKDSINSA-N
MW144.19 g/mol
LogP0.86
Rot. Bonds3

About CID 58391087

CID 58391087 (PubChem CID 58391087) has the molecular formula C7H14NO2 and a molecular weight of 144.19 g/mol.

Molecular Properties

Compound NameCID 58391087
PubChem CID58391087
Molecular FormulaC7H14NO2
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name—
SMILESCOC(=O)[C@@H](C)C[C@H](C)[NH]
InChIInChI=1S/C7H14NO2/c1-5(4-6(2)8)7(9)10-3/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyBBLPCQRQAJDSGT-WDSKDSINSA-N
XLogP0.86
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
methyl 4-amino-2-methyl-4-phosphanylbutanoate
CID 134574134
methyl 6-hydroxy-2,4-dimethylheptanoate
CID 85176475
methyl 2-methyl-4-(propan-2-ylamino)pentanoate
CID 104646065
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146
methyl 2-methyl-4-(2-methylpropylamino)pentanoate
CID 104645979
methyl (2R)-4-hydroxy-2-methylheptanoate
CID 174362500
dimethyl (2R,4S)-2-(isocyanomethyl)-4-methylpentanedioate
CID 59879625
dimethyl (2S,7S)-2,7-dimethyloct-4-ynedioate
CID 163588468
methyl (2S)-3-bromo-2-methylpropanoate;zinc
CID 158954995

Frequently Asked Questions

What is the IUPAC name of CID 58391087?
The IUPAC name of CID 58391087 (CID 58391087) is not available.
What is the SMILES notation for CID 58391087?
The canonical SMILES for CID 58391087 is COC(=O)[C@@H](C)C[C@H](C)[NH].
What is the InChIKey of CID 58391087?
The InChIKey is BBLPCQRQAJDSGT-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14NO2/c1-5(4-6(2)8)7(9)10-3/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of CID 58391087?
CID 58391087 has a molecular weight of 144.19 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58391087 is sourced from PubChem (CID 58391087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).