2-carbamoyl-4,4-dimethylheptanoic acid

C10H19NO3 — CID 87260001

IUPAC2-carbamoyl-4,4-dimethylheptanoic acid
SMILESCCCC(C)(C)CC(C(N)=O)C(=O)O
InChIInChI=1S/C10H19NO3/c1-4-5-10(2,3)6-7(8(11)12)9(13)14/h7H,4-6H2,1-3H3,(H2,11,12)(H,13,14)
InChIKeyPLZDZQBHFMLMQP-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.39
Rot. Bonds6

About 2-carbamoyl-4,4-dimethylheptanoic acid

2-carbamoyl-4,4-dimethylheptanoic acid (PubChem CID 87260001) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-carbamoyl-4,4-dimethylheptanoic acid.

Molecular Properties

Compound Name2-carbamoyl-4,4-dimethylheptanoic acid
PubChem CID87260001
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-carbamoyl-4,4-dimethylheptanoic acid
SMILESCCCC(C)(C)CC(C(N)=O)C(=O)O
InChIInChI=1S/C10H19NO3/c1-4-5-10(2,3)6-7(8(11)12)9(13)14/h7H,4-6H2,1-3H3,(H2,11,12)(H,13,14)
InChIKeyPLZDZQBHFMLMQP-UHFFFAOYSA-N
XLogP1.39
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethylhexane-1,1-diamine
CID 88633791
2-amino-3-(2-methylpentan-2-ylamino)propanamide
CID 103264433
2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide
CID 143920647
(2S)-2-aminopropanamide;2,2-dimethylpentane
CID 175210028
2-(4-methylheptan-4-yl)propanedioic acid
CID 138593580
2-carbamoylheptanoic acid;hydrochloride
CID 175556394
2-amino-4-hydroxy-4-propylheptanoic acid
CID 14320933
2-carbamoylhexadecanoic acid
CID 172818471
2-amino-4-(difluoromethyl)-4-methylheptanoic acid
CID 129061110
(4S)-2-amino-4-(difluoromethyl)-4-methylheptanoic acid
CID 167281606
2-(2-methylpentan-2-yl)butanedioic acid
CID 121418792
3,5,5-trimethyloctan-2-amine
CID 123362443

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-4,4-dimethylheptanoic acid?
The IUPAC name of 2-carbamoyl-4,4-dimethylheptanoic acid (CID 87260001) is 2-carbamoyl-4,4-dimethylheptanoic acid.
What is the SMILES notation for 2-carbamoyl-4,4-dimethylheptanoic acid?
The canonical SMILES for 2-carbamoyl-4,4-dimethylheptanoic acid is CCCC(C)(C)CC(C(N)=O)C(=O)O.
What is the InChIKey of 2-carbamoyl-4,4-dimethylheptanoic acid?
The InChIKey is PLZDZQBHFMLMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-5-10(2,3)6-7(8(11)12)9(13)14/h7H,4-6H2,1-3H3,(H2,11,12)(H,13,14).
What are the key properties of 2-carbamoyl-4,4-dimethylheptanoic acid?
2-carbamoyl-4,4-dimethylheptanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-4,4-dimethylheptanoic acid is sourced from PubChem (CID 87260001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).