2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid

C12H24N2O3 — CID 79800969

IUPAC2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
SMILESCCC(NC(=O)NC(C)(CC)C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-6-9(8(3)4)13-11(17)14-12(5,7-2)10(15)16/h8-9H,6-7H2,1-5H3,(H,15,16)(H2,13,14,17)
InChIKeyJZNXSOVFGOPBEL-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.97
Rot. Bonds6

About 2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid

2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid (PubChem CID 79800969) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
PubChem CID79800969
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
SMILESCCC(NC(=O)NC(C)(CC)C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-6-9(8(3)4)13-11(17)14-12(5,7-2)10(15)16/h8-9H,6-7H2,1-5H3,(H,15,16)(H2,13,14,17)
InChIKeyJZNXSOVFGOPBEL-UHFFFAOYSA-N
XLogP1.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid
CID 79798870
2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 61470917
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
2-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 54954839
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid
CID 54958910
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid
CID 79799154
2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid
CID 79792644
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid
CID 79790704
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802
2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 104644167
2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid
CID 65223057

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid?
The IUPAC name of 2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid (CID 79800969) is 2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid is CCC(NC(=O)NC(C)(CC)C(=O)O)C(C)C.
What is the InChIKey of 2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid?
The InChIKey is JZNXSOVFGOPBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-9(8(3)4)13-11(17)14-12(5,7-2)10(15)16/h8-9H,6-7H2,1-5H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid?
2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 79800969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).