2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid

C15H32N2O4 — CID 106806458

IUPAC2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid
SMILESCCOCCN(CCCC(N)(CC)C(=O)O)CCOCC
InChIInChI=1S/C15H32N2O4/c1-4-15(16,14(18)19)8-7-9-17(10-12-20-5-2)11-13-21-6-3/h4-13,16H2,1-3H3,(H,18,19)
InChIKeyKOUDPZKHFBDTFH-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.33
Rot. Bonds14

About 2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid

2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid (PubChem CID 106806458) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid.

Molecular Properties

Compound Name2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid
PubChem CID106806458
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Name2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid
SMILESCCOCCN(CCCC(N)(CC)C(=O)O)CCOCC
InChIInChI=1S/C15H32N2O4/c1-4-15(16,14(18)19)8-7-9-17(10-12-20-5-2)11-13-21-6-3/h4-13,16H2,1-3H3,(H,18,19)
InChIKeyKOUDPZKHFBDTFH-UHFFFAOYSA-N
XLogP1.33
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid
CID 106806545
2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid
CID 106805783
2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
CID 106806761
methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate
CID 63690173
2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid
CID 106807151
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-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid
CID 106805714
3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid
CID 82951535
5-[2-ethoxyethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63690528
2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid
CID 82952538
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid?
The IUPAC name of 2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid (CID 106806458) is 2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid.
What is the SMILES notation for 2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid?
The canonical SMILES for 2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid is CCOCCN(CCCC(N)(CC)C(=O)O)CCOCC.
What is the InChIKey of 2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid?
The InChIKey is KOUDPZKHFBDTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4/c1-4-15(16,14(18)19)8-7-9-17(10-12-20-5-2)11-13-21-6-3/h4-13,16H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid?
2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid has a molecular weight of 304.43 g/mol, XLogP of 1.33, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid is sourced from PubChem (CID 106806458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).