2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid

C12H24N2O3 — CID 61186225

IUPAC2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid
SMILESCCCCN(C)C(=O)N(CC(=O)O)C(C)CC
InChIInChI=1S/C12H24N2O3/c1-5-7-8-13(4)12(17)14(9-11(15)16)10(3)6-2/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyLOXAMJASYLDDPC-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.02
Rot. Bonds7

About 2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid

2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid (PubChem CID 61186225) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid
PubChem CID61186225
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid
SMILESCCCCN(C)C(=O)N(CC(=O)O)C(C)CC
InChIInChI=1S/C12H24N2O3/c1-5-7-8-13(4)12(17)14(9-11(15)16)10(3)6-2/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyLOXAMJASYLDDPC-UHFFFAOYSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid
CID 61184658
2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 61428242
2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 61209214
5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid
CID 60662142
2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid
CID 62923520
2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid
CID 61411470
2-[butan-2-yl-(2-butylsulfanylacetyl)amino]acetic acid
CID 60827913
2-[[butyl(methyl)carbamoyl]-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 61184804
2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 61197361
2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid
CID 61161299
2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 54948701
2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437486

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid (CID 61186225) is 2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid is CCCCN(C)C(=O)N(CC(=O)O)C(C)CC.
What is the InChIKey of 2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid?
The InChIKey is LOXAMJASYLDDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-7-8-13(4)12(17)14(9-11(15)16)10(3)6-2/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid has a molecular weight of 244.33 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61186225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).