(4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid

C11H19NO2 — CID 90788428

IUPAC(4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid
SMILES[H]/N=C(\CC(=O)O)[C@H](C)[C@H](C)C=CCC
InChIInChI=1S/C11H19NO2/c1-4-5-6-8(2)9(3)10(12)7-11(13)14/h5-6,8-9,12H,4,7H2,1-3H3,(H,13,14)/b6-5?,12-10+/t8-,9-/m1/s1
InChIKeyFBRIUUNAVZJHCD-VTNOKTQDSA-N
MW197.28 g/mol
LogP2.72
Rot. Bonds6

About (4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid

(4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid (PubChem CID 90788428) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid.

Molecular Properties

Compound Name(4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid
PubChem CID90788428
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid
SMILES[H]/N=C(\CC(=O)O)[C@H](C)[C@H](C)C=CCC
InChIInChI=1S/C11H19NO2/c1-4-5-6-8(2)9(3)10(12)7-11(13)14/h5-6,8-9,12H,4,7H2,1-3H3,(H,13,14)/b6-5?,12-10+/t8-,9-/m1/s1
InChIKeyFBRIUUNAVZJHCD-VTNOKTQDSA-N
XLogP2.72
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3,4-dimethyloct-5-enoic acid
CID 155168739
(2Z,4R,5S,6E)-3-acetamido-4,5-dimethylnona-2,6-dienoic acid
CID 11947884
2-[(E)-but-1-enyl]-3-methylbutanedioic acid
CID 21482433
3-methylhept-4-en-2-ol
CID 90779417
(2Z,4S,5R,6E)-4,5-dimethyl-3-pyrrolidin-1-ylnona-2,6-dienoic acid
CID 11948269
2-[(Z)-but-1-enyl]propanedioic acid
CID 139985300
(Z)-2,3-dimethylnon-4-enoic acid
CID 87090108
methyl 2-methylhex-3-enoate
CID 544076
N-[(E,2S)-hex-3-en-2-yl]acetamide
CID 134947978
(Z)-hex-3-ene;propanoic acid
CID 174827236
(E)-5,6-dimethyloct-3-enoic acid
CID 155168954
4,5-dimethylhexan-3-imine
CID 123589551

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid?
The IUPAC name of (4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid (CID 90788428) is (4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid.
What is the SMILES notation for (4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid?
The canonical SMILES for (4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid is [H]/N=C(\CC(=O)O)[C@H](C)[C@H](C)C=CCC.
What is the InChIKey of (4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid?
The InChIKey is FBRIUUNAVZJHCD-VTNOKTQDSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-5-6-8(2)9(3)10(12)7-11(13)14/h5-6,8-9,12H,4,7H2,1-3H3,(H,13,14)/b6-5?,12-10+/t8-,9-/m1/s1.
What are the key properties of (4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid?
(4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-imino-4,5-dimethylnon-6-enoic acid is sourced from PubChem (CID 90788428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).