2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid

C12H26N2O2 — CID 106805714

IUPAC2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid
SMILESCCC(N)(CCCN(C)CC(C)C)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-5-12(13,11(15)16)7-6-8-14(4)9-10(2)3/h10H,5-9,13H2,1-4H3,(H,15,16)
InChIKeyWEPLYXOLXNPTAJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.55
Rot. Bonds8

About 2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid

2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid (PubChem CID 106805714) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid
PubChem CID106805714
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid
SMILESCCC(N)(CCCN(C)CC(C)C)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-5-12(13,11(15)16)7-6-8-14(4)9-10(2)3/h10H,5-9,13H2,1-4H3,(H,15,16)
InChIKeyWEPLYXOLXNPTAJ-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid
CID 106805783
2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid
CID 106805744
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(oxolan-2-ylmethyl)amino]pentanoic acid
CID 106805981
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid
CID 106806458
2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid
CID 106806273
2-amino-2-ethyl-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
CID 107755879
2-amino-6-borono-2-[3-[2-(dimethylamino)ethyl-methylamino]propyl]hexanoic acid
CID 88551263
2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504
2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid
CID 106807151

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid (CID 106805714) is 2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid is CCC(N)(CCCN(C)CC(C)C)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid?
The InChIKey is WEPLYXOLXNPTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-12(13,11(15)16)7-6-8-14(4)9-10(2)3/h10H,5-9,13H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid?
2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.55, 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-[methyl(2-methylpropyl)amino]pentanoic acid is sourced from PubChem (CID 106805714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).