2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid

C14H29N3O3 — CID 61182248

IUPAC2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C14H29N3O3/c1-7-11(2)17(8-12(18)19)13(20)15-9-14(3,4)10-16(5)6/h11H,7-10H2,1-6H3,(H,15,20)(H,18,19)
InChIKeyJBILEPZSLCDHGO-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.47
Rot. Bonds8

About 2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid

2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid (PubChem CID 61182248) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
PubChem CID61182248
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C14H29N3O3/c1-7-11(2)17(8-12(18)19)13(20)15-9-14(3,4)10-16(5)6/h11H,7-10H2,1-6H3,(H,15,20)(H,18,19)
InChIKeyJBILEPZSLCDHGO-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

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid (CID 61182248) is 2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of 2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid?
The InChIKey is JBILEPZSLCDHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-7-11(2)17(8-12(18)19)13(20)15-9-14(3,4)10-16(5)6/h11H,7-10H2,1-6H3,(H,15,20)(H,18,19).
What are the key properties of 2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid?
2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]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-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 61182248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).