2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid

C14H29N3O3 — CID 61479072

IUPAC2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C14H29N3O3/c1-7-11(4)17(9-13(18)19)14(20)15-12(10(2)3)8-16(5)6/h10-12H,7-9H2,1-6H3,(H,15,20)(H,18,19)
InChIKeyLPSGOOWWVBHQOI-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.47
Rot. Bonds8

About 2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid

2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid (PubChem CID 61479072) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid
PubChem CID61479072
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C14H29N3O3/c1-7-11(4)17(9-13(18)19)14(20)15-12(10(2)3)8-16(5)6/h10-12H,7-9H2,1-6H3,(H,15,20)(H,18,19)
InChIKeyLPSGOOWWVBHQOI-UHFFFAOYSA-N
XLogP1.47
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid with MolForge

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Related Compounds

2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271724
2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid
CID 61471634
2-[butan-2-yl(1-cyclopropylethylcarbamoyl)amino]acetic acid
CID 61197936
2-[butan-2-yl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184230
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid
CID 61479113
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid
CID 61479125
2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid
CID 60829080
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822020
5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 55156179
2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 61182248
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid
CID 61480028
1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea
CID 115585870

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid (CID 61479072) is 2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NC(CN(C)C)C(C)C.
What is the InChIKey of 2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid?
The InChIKey is LPSGOOWWVBHQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-7-11(4)17(9-13(18)19)14(20)15-12(10(2)3)8-16(5)6/h10-12H,7-9H2,1-6H3,(H,15,20)(H,18,19).
What are the key properties of 2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid?
2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid has a molecular weight of 287.40 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 61479072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).