ethyl 2-amino-5-(dimethylamino)pentanoate

C9H20N2O2 — CID 114525469

IUPACethyl 2-amino-5-(dimethylamino)pentanoate
SMILESCCOC(=O)C(N)CCCN(C)C
InChIInChI=1S/C9H20N2O2/c1-4-13-9(12)8(10)6-5-7-11(2)3/h8H,4-7,10H2,1-3H3
InChIKeyQAFWFUFGPSMJPX-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.22
Rot. Bonds6

About ethyl 2-amino-5-(dimethylamino)pentanoate

ethyl 2-amino-5-(dimethylamino)pentanoate (PubChem CID 114525469) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethyl 2-amino-5-(dimethylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(dimethylamino)pentanoate
PubChem CID114525469
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nameethyl 2-amino-5-(dimethylamino)pentanoate
SMILESCCOC(=O)C(N)CCCN(C)C
InChIInChI=1S/C9H20N2O2/c1-4-13-9(12)8(10)6-5-7-11(2)3/h8H,4-7,10H2,1-3H3
InChIKeyQAFWFUFGPSMJPX-UHFFFAOYSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-aminohexanoate;hydrochloride
CID 18387178
ethyl 2-acetyl-5-(dimethylamino)pentanoate
CID 123843751
ethyl 2-amino-6-[bis(2-hydroxypropyl)amino]hexanoate
CID 173097881
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
ethyl (2S)-2,6-bis(dimethylamino)hexanoate
CID 22213734
ethyl (2S)-2,6-diaminohexanoate;hydrate;dihydrochloride
CID 176886199
ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate
CID 176570974
2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane
CID 145098221
2-amino-6-(dimethylamino)hexanoic acid;ethane
CID 177245948
ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate
CID 63053351
ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate
CID 63029409
(2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide
CID 103831986

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(dimethylamino)pentanoate?
The IUPAC name of ethyl 2-amino-5-(dimethylamino)pentanoate (CID 114525469) is ethyl 2-amino-5-(dimethylamino)pentanoate.
What is the SMILES notation for ethyl 2-amino-5-(dimethylamino)pentanoate?
The canonical SMILES for ethyl 2-amino-5-(dimethylamino)pentanoate is CCOC(=O)C(N)CCCN(C)C.
What is the InChIKey of ethyl 2-amino-5-(dimethylamino)pentanoate?
The InChIKey is QAFWFUFGPSMJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-13-9(12)8(10)6-5-7-11(2)3/h8H,4-7,10H2,1-3H3.
What are the key properties of ethyl 2-amino-5-(dimethylamino)pentanoate?
ethyl 2-amino-5-(dimethylamino)pentanoate has a molecular weight of 188.27 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(dimethylamino)pentanoate is sourced from PubChem (CID 114525469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).