2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid

C12H26N2O2 — CID 106805744

IUPAC2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid
SMILESCCN(CCCC(N)(CC)C(=O)O)C(C)C
InChIInChI=1S/C12H26N2O2/c1-5-12(13,11(15)16)8-7-9-14(6-2)10(3)4/h10H,5-9,13H2,1-4H3,(H,15,16)
InChIKeyZKVDLQSRYQIJRK-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.69
Rot. Bonds8

About 2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid

2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid (PubChem CID 106805744) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid
PubChem CID106805744
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid
SMILESCCN(CCCC(N)(CC)C(=O)O)C(C)C
InChIInChI=1S/C12H26N2O2/c1-5-12(13,11(15)16)8-7-9-14(6-2)10(3)4/h10H,5-9,13H2,1-4H3,(H,15,16)
InChIKeyZKVDLQSRYQIJRK-UHFFFAOYSA-N
XLogP1.69
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 106805764
2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid
CID 106806545
2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid
CID 106805714
2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid
CID 106805783
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid
CID 106806458
2-amino-2-ethyl-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
CID 107755879
2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504
4-[ethyl(propan-2-yl)amino]butanehydrazide
CID 63573828
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
(2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid
CID 144859243
2-amino-2-ethyl-6-(ethylamino)hexanoic acid
CID 123842280

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid (CID 106805744) is 2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid is CCN(CCCC(N)(CC)C(=O)O)C(C)C.
What is the InChIKey of 2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid?
The InChIKey is ZKVDLQSRYQIJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-12(13,11(15)16)8-7-9-14(6-2)10(3)4/h10H,5-9,13H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid?
2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 106805744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).