2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid

C14H28N2O3 — CID 102907196

IUPAC2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-7-16(9-13(17)18)14(19)15-8-12(10(2)3)11(4)5/h10-12H,6-9H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyZQNJLZOBGAMRCV-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.42
Rot. Bonds8

About 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid

2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid (PubChem CID 102907196) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid
PubChem CID102907196
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-7-16(9-13(17)18)14(19)15-8-12(10(2)3)11(4)5/h10-12H,6-9H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyZQNJLZOBGAMRCV-UHFFFAOYSA-N
XLogP2.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid
CID 114004349
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid
CID 61201140
2-[pentan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 61182212
3-(dipropylcarbamoylamino)-2-methylpropanoic acid
CID 62668824
2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 62198612
2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65218574
3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62668667
2-[but-3-yn-2-ylcarbamoyl(propyl)amino]acetic acid
CID 114418372
2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid
CID 102907226
2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 66167409
2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 113363878

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid?
The IUPAC name of 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid (CID 102907196) is 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid?
The canonical SMILES for 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid?
The InChIKey is ZQNJLZOBGAMRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-7-16(9-13(17)18)14(19)15-8-12(10(2)3)11(4)5/h10-12H,6-9H2,1-5H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid?
2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid has a molecular weight of 272.39 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid is sourced from PubChem (CID 102907196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).