2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid

C14H28N2O3 — CID 82043173

IUPAC2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid
SMILESCCCCN(CC)C(C(=O)NC(C)C(=O)O)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-8-9-16(7-2)12(10(3)4)13(17)15-11(5)14(18)19/h10-12H,6-9H2,1-5H3,(H,15,17)(H,18,19)
InChIKeyWBXJJYLZCKQQHB-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.72
Rot. Bonds9

About 2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid

2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid (PubChem CID 82043173) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid
PubChem CID82043173
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid
SMILESCCCCN(CC)C(C(=O)NC(C)C(=O)O)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-8-9-16(7-2)12(10(3)4)13(17)15-11(5)14(18)19/h10-12H,6-9H2,1-5H3,(H,15,17)(H,18,19)
InChIKeyWBXJJYLZCKQQHB-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide
CID 63585073
N-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide
CID 163657277
(2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid
CID 103791212
2-[[butan-2-yl(butyl)carbamoyl]amino]propanoic acid
CID 55004578
2-(2-methylundecanoylamino)propanoic acid
CID 89211024
(2S)-2-(2-aminohexanoylamino)propanoic acid
CID 51063258
(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]hexanoic acid
CID 120614783
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 78972056
2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016391
3-[butyl(ethyl)amino]-2-methylbutanehydrazide
CID 79409321
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid (CID 82043173) is 2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid is CCCCN(CC)C(C(=O)NC(C)C(=O)O)C(C)C.
What is the InChIKey of 2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid?
The InChIKey is WBXJJYLZCKQQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-8-9-16(7-2)12(10(3)4)13(17)15-11(5)14(18)19/h10-12H,6-9H2,1-5H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid?
2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid is sourced from PubChem (CID 82043173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).