2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid

C11H21NO4 — CID 134524402

IUPAC2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid
SMILESCCOC(=O)N(CC(C)C)C(CC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-5-9(10(13)14)12(7-8(3)4)11(15)16-6-2/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyPBQFCJAYENKSQN-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.96
Rot. Bonds6

About 2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid

2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid (PubChem CID 134524402) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid
PubChem CID134524402
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid
SMILESCCOC(=O)N(CC(C)C)C(CC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-5-9(10(13)14)12(7-8(3)4)11(15)16-6-2/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyPBQFCJAYENKSQN-UHFFFAOYSA-N
XLogP1.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
ethyl (2S)-2-[ethoxycarbonyl(ethyl)amino]-4-methylpentanoate
CID 155570536
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate
CID 79491699
2-[bis(3-methylbutyl)amino]butanoic acid
CID 107870312
2-[2-carboxypropyl(pentanoyl)amino]butanoic acid
CID 82323586
2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid
CID 82323705
ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate
CID 64661063
2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid
CID 82323920
3-ethoxy-2-[methyl(2-methylpropyl)amino]propanoic acid
CID 163401072
2-[benzyl(ethoxycarbonyl)amino]-3-phenylpropanoic acid
CID 10711290
2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 79484032

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid?
The IUPAC name of 2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid (CID 134524402) is 2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid.
What is the SMILES notation for 2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid?
The canonical SMILES for 2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid is CCOC(=O)N(CC(C)C)C(CC)C(=O)O.
What is the InChIKey of 2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid?
The InChIKey is PBQFCJAYENKSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-9(10(13)14)12(7-8(3)4)11(15)16-6-2/h8-9H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid?
2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid is sourced from PubChem (CID 134524402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).