methyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate

C10H19NO5 — CID 155120798

IUPACmethyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate
SMILESCOC(=O)CC(O)(CCC(C)(C)O)C(N)=O
InChIInChI=1S/C10H19NO5/c1-9(2,14)4-5-10(15,8(11)13)6-7(12)16-3/h14-15H,4-6H2,1-3H3,(H2,11,13)
InChIKeyKQGBCPDEIFTLOZ-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.68
Rot. Bonds6

About methyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate

methyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate (PubChem CID 155120798) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is methyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate.

Molecular Properties

Compound Namemethyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate
PubChem CID155120798
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Namemethyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate
SMILESCOC(=O)CC(O)(CCC(C)(C)O)C(N)=O
InChIInChI=1S/C10H19NO5/c1-9(2,14)4-5-10(15,8(11)13)6-7(12)16-3/h14-15H,4-6H2,1-3H3,(H2,11,13)
InChIKeyKQGBCPDEIFTLOZ-UHFFFAOYSA-N
XLogP-0.68
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate 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

1-O-ethyl 4-O-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
CID 20744959
azanium 2-hydroxy-4-methoxy-2-(2-methoxy-2-oxoethyl)-4-oxobutanoate
CID 162720781
methyl 3-amino-3-chlorobutanoate
CID 174994558
methyl 2-[(3-hydroxy-3-methylbutyl)amino]acetate
CID 79360422
methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 79355102
methyl 3-[(3-hydroxy-3-methylbutyl)amino]propanoate
CID 79360276
methyl 3,3-dimethylpentanoate
CID 3757207
dimethyl butanedioate;2-methylbutan-2-ol
CID 174977208
methyl 5-methoxy-3,3-dimethylpentanoate
CID 153309889
5-hydroxy-2,2,5-trimethylhexanoic acid
CID 79425449
trimethyl 2-methylbutane-1,2,4-tricarboxylate
CID 121224403
methyl 4,4-difluoro-3,3-dimethylpentanoate
CID 139022480

Frequently Asked Questions

What is the IUPAC name of methyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate?
The IUPAC name of methyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate (CID 155120798) is methyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate.
What is the SMILES notation for methyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate?
The canonical SMILES for methyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate is COC(=O)CC(O)(CCC(C)(C)O)C(N)=O.
What is the InChIKey of methyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate?
The InChIKey is KQGBCPDEIFTLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-9(2,14)4-5-10(15,8(11)13)6-7(12)16-3/h14-15H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of methyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate?
methyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate has a molecular weight of 233.26 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbamoyl-3,6-dihydroxy-6-methylheptanoate is sourced from PubChem (CID 155120798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).