(2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide

C14H27N3O2 — CID 173105917

IUPAC(2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide
SMILESCC(C)(C)NC(=O)N[C@H](C(=O)NC1CC1)C(C)(C)C
InChIInChI=1S/C14H27N3O2/c1-13(2,3)10(11(18)15-9-7-8-9)16-12(19)17-14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,18)(H2,16,17,19)/t10-/m1/s1
InChIKeyFRGQYIDPRLGUOK-SNVBAGLBSA-N
MW269.39 g/mol
LogP1.78
Rot. Bonds3

About (2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide

(2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide (PubChem CID 173105917) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide
PubChem CID173105917
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide
SMILESCC(C)(C)NC(=O)N[C@H](C(=O)NC1CC1)C(C)(C)C
InChIInChI=1S/C14H27N3O2/c1-13(2,3)10(11(18)15-9-7-8-9)16-12(19)17-14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,18)(H2,16,17,19)/t10-/m1/s1
InChIKeyFRGQYIDPRLGUOK-SNVBAGLBSA-N
XLogP1.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylcarbamoylamino)-N-cyclopropylpropanamide
CID 115585441
1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane
CID 143418948
(2S)-2-(tert-butylcarbamoylamino)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3,3-dimethylbutanamide
CID 167099163
1-tert-butyl-3-cyclobutylurea
CID 17217146
1-tert-butyl-3-(2,2-dimethyl-4-oxohexan-3-yl)urea
CID 88922406
2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62416183
1-tert-butyl-3-[(2S)-3,3-dimethylbutan-2-yl]urea
CID 159105073
(2S)-2-(cycloheptylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61196717
1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 70287135
1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea
CID 143418831
(2R)-3,3-dimethyl-2-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 113353183
3-[[1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-5-methyl-2-methylidenehexanoic acid
CID 54444274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide (CID 173105917) is (2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide is CC(C)(C)NC(=O)N[C@H](C(=O)NC1CC1)C(C)(C)C.
What is the InChIKey of (2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide?
The InChIKey is FRGQYIDPRLGUOK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-13(2,3)10(11(18)15-9-7-8-9)16-12(19)17-14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,18)(H2,16,17,19)/t10-/m1/s1.
What are the key properties of (2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide?
(2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide has a molecular weight of 269.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide is sourced from PubChem (CID 173105917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).