2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid

C15H30N2O3 — CID 61184658

IUPAC2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid
SMILESCCCCN(CCCC)C(=O)N(CC(=O)O)C(C)CC
InChIInChI=1S/C15H30N2O3/c1-5-8-10-16(11-9-6-2)15(20)17(12-14(18)19)13(4)7-3/h13H,5-12H2,1-4H3,(H,18,19)
InChIKeyIFBCKSZUIXZKKC-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.19
Rot. Bonds10

About 2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid

2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid (PubChem CID 61184658) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid
PubChem CID61184658
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid
SMILESCCCCN(CCCC)C(=O)N(CC(=O)O)C(C)CC
InChIInChI=1S/C15H30N2O3/c1-5-8-10-16(11-9-6-2)15(20)17(12-14(18)19)13(4)7-3/h13H,5-12H2,1-4H3,(H,18,19)
InChIKeyIFBCKSZUIXZKKC-UHFFFAOYSA-N
XLogP3.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid
CID 61186225
2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid
CID 62923520
2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437486
2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 54948701
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 61198906
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid
CID 60662142
4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61447544
2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 61428242
2-[butan-2-yl-(2-butylsulfanylacetyl)amino]acetic acid
CID 60827913
2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid
CID 61161299

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid (CID 61184658) is 2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid is CCCCN(CCCC)C(=O)N(CC(=O)O)C(C)CC.
What is the InChIKey of 2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid?
The InChIKey is IFBCKSZUIXZKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-8-10-16(11-9-6-2)15(20)17(12-14(18)19)13(4)7-3/h13H,5-12H2,1-4H3,(H,18,19).
What are the key properties of 2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid?
2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid has a molecular weight of 286.42 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61184658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).