(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid

C13H24N2O3 — CID 103927983

IUPAC(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCN(CC1CCC1)C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-13(2,3)10(11(16)17)14-12(18)15(4)8-9-6-5-7-9/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyMRJNNRVHFVJXPP-JTQLQIEISA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds4

About (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid

(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 103927983) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID103927983
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCN(CC1CCC1)C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-13(2,3)10(11(16)17)14-12(18)15(4)8-9-6-5-7-9/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyMRJNNRVHFVJXPP-JTQLQIEISA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-2-(3-isopropylureido)-4-methylpentanoic acid
CID 663650
(S)-2-(3-Isopropyl-ureido)-3-methyl-pentanoic acid
CID 9550048
(2S)-2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid
CID 664805
(R)-2-(3-Isobutyl-ureido)-4-methyl-pentanoic acid
CID 1854707
(S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid
CID 2026390
(2S)-2-(tert-Butylaminocarbonylamino)-3,3-dimethylbutanoic acid
CID 23659740
N-Isopropylaminocarbonyl-L-valin
CID 2009025
N-[(tert-butylamino)carbonyl]-3-methylvaline
CID 43468023
Ethylaminocarbonyl-l-valine
CID 30080197
2-(2-Ethylbutanoylcarbamoylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 134915239
(2S)-3,3-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 61204972
3,3-Dimethyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 61206246

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid (CID 103927983) is (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid is CN(CC1CCC1)C(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is MRJNNRVHFVJXPP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)10(11(16)17)14-12(18)15(4)8-9-6-5-7-9/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)/t10-/m0/s1.
What are the key properties of (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).