(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid

C12H24N2O3 — CID 103927496

IUPAC(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
SMILESCC(C)CCNC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)6-7-13-11(17)14-9(10(15)16)12(3,4)5/h8-9H,6-7H2,1-5H3,(H,15,16)(H2,13,14,17)/t9-/m0/s1
InChIKeyQRJBYUWGXLRJRW-VIFPVBQESA-N
MW244.33 g/mol
LogP1.83
Rot. Bonds5

About (2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid

(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid (PubChem CID 103927496) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
PubChem CID103927496
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
SMILESCC(C)CCNC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)6-7-13-11(17)14-9(10(15)16)12(3,4)5/h8-9H,6-7H2,1-5H3,(H,15,16)(H2,13,14,17)/t9-/m0/s1
InChIKeyQRJBYUWGXLRJRW-VIFPVBQESA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3,3-dimethyl-2-(5-methylhexylcarbamoylamino)butanoic acid
CID 103928213
(2S)-3,3-dimethyl-2-(3-methylsulfinylbutylcarbamoylamino)butanoic acid
CID 113490718
(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927689
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103928257
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018
(2S)-3,3-dimethyl-2-(2-methylsulfanylethylcarbamoylamino)butanoic acid
CID 63960155
(2S)-3,3-dimethyl-2-[3-(2-methylpropoxy)propylcarbamoylamino]butanoic acid
CID 103994527
(2S)-2-[2-(dimethylcarbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 83112727
(2S)-3,3-dimethyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 61197432
(2S)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 114162518
1,3-bis(3-methylbutyl)urea
CID 22563958
(2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927895

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid (CID 103927496) is (2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid is CC(C)CCNC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid?
The InChIKey is QRJBYUWGXLRJRW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)6-7-13-11(17)14-9(10(15)16)12(3,4)5/h8-9H,6-7H2,1-5H3,(H,15,16)(H2,13,14,17)/t9-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid?
(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid is sourced from PubChem (CID 103927496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).