4-(cyclobutanecarbonylamino)-2-methylbutanoic acid

C10H17NO3 — CID 80538268

IUPAC4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
SMILESCC(CCNC(=O)C1CCC1)C(=O)O
InChIInChI=1S/C10H17NO3/c1-7(10(13)14)5-6-11-9(12)8-3-2-4-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyDDORHHPHORAWDK-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.01
Rot. Bonds5

About 4-(cyclobutanecarbonylamino)-2-methylbutanoic acid

4-(cyclobutanecarbonylamino)-2-methylbutanoic acid (PubChem CID 80538268) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-(cyclobutanecarbonylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
PubChem CID80538268
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
SMILESCC(CCNC(=O)C1CCC1)C(=O)O
InChIInChI=1S/C10H17NO3/c1-7(10(13)14)5-6-11-9(12)8-3-2-4-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyDDORHHPHORAWDK-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-aminocyclohexanecarbonyl)amino]-2-methylbutanoic acid
CID 80539751
2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 80539207
4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid
CID 80539395
3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354
(2S)-4-(cycloheptanecarbonylamino)-2-hydroxybutanoic acid
CID 107834810
2-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824533
2-methyl-5-(piperidine-3-carbonylamino)pentanoic acid
CID 112547799
4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid
CID 80539316
4-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 115220789
6-(cyclohexanecarbonylamino)-2-methylheptanoic acid
CID 65286195
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutanecarbonylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(cyclobutanecarbonylamino)-2-methylbutanoic acid (CID 80538268) is 4-(cyclobutanecarbonylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(cyclobutanecarbonylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(cyclobutanecarbonylamino)-2-methylbutanoic acid is CC(CCNC(=O)C1CCC1)C(=O)O.
What is the InChIKey of 4-(cyclobutanecarbonylamino)-2-methylbutanoic acid?
The InChIKey is DDORHHPHORAWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(10(13)14)5-6-11-9(12)8-3-2-4-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-(cyclobutanecarbonylamino)-2-methylbutanoic acid?
4-(cyclobutanecarbonylamino)-2-methylbutanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonylamino)-2-methylbutanoic acid is sourced from PubChem (CID 80538268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).