2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid

C11H23N3O3 — CID 82939192

IUPAC2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
SMILESCC(CN(C)C)NC(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C11H23N3O3/c1-7(2)9(10(15)16)13-11(17)12-8(3)6-14(4)5/h7-9H,6H2,1-5H3,(H,15,16)(H2,12,13,17)
InChIKeyGNCCYFMSBHNODN-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.34
Rot. Bonds6

About 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid

2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid (PubChem CID 82939192) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
PubChem CID82939192
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
SMILESCC(CN(C)C)NC(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C11H23N3O3/c1-7(2)9(10(15)16)13-11(17)12-8(3)6-14(4)5/h7-9H,6H2,1-5H3,(H,15,16)(H2,12,13,17)
InChIKeyGNCCYFMSBHNODN-UHFFFAOYSA-N
XLogP0.34
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 54968042
3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 61198782
(2R)-3-methyl-2-(pent-4-yn-2-ylcarbamoylamino)butanoic acid
CID 104864351
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid
CID 82950117
(2R)-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanedioic acid
CID 107840772
(2S)-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828696
2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid
CID 82938789
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 82939623
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 82938494
3-methyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoic acid
CID 5149828
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 82937494
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82937416

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid?
The IUPAC name of 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid (CID 82939192) is 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid is CC(CN(C)C)NC(=O)NC(C(=O)O)C(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid?
The InChIKey is GNCCYFMSBHNODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-7(2)9(10(15)16)13-11(17)12-8(3)6-14(4)5/h7-9H,6H2,1-5H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid?
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid has a molecular weight of 245.32 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 82939192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).