ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate

C9H18N2O3 — CID 71815737

IUPACethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate
SMILESCCNC(=O)CC[C@@H](N)C(=O)OCC
InChIInChI=1S/C9H18N2O3/c1-3-11-8(12)6-5-7(10)9(13)14-4-2/h7H,3-6,10H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyJYYILPKRJDOTRS-SSDOTTSWSA-N
MW202.25 g/mol
LogP-0.21
Rot. Bonds6

About ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate

ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate (PubChem CID 71815737) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate
PubChem CID71815737
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate
SMILESCCNC(=O)CC[C@@H](N)C(=O)OCC
InChIInChI=1S/C9H18N2O3/c1-3-11-8(12)6-5-7(10)9(13)14-4-2/h7H,3-6,10H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyJYYILPKRJDOTRS-SSDOTTSWSA-N
XLogP-0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
ethyl 5-(2-acetylsulfanylethylamino)-2-amino-5-oxopentanoate
CID 154680317
benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 141344098
[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium
CID 175846430
ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate
CID 72570963
acetylene;diethyl 2-aminopentanedioate;methane
CID 174943147
copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate
CID 174824189
(4R)-4-amino-N-propylpentanamide
CID 146234117
[2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate
CID 87104795
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane
CID 175078520
(2S)-5-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 87920148

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate?
The IUPAC name of ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate (CID 71815737) is ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate.
What is the SMILES notation for ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate?
The canonical SMILES for ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate is CCNC(=O)CC[C@@H](N)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate?
The InChIKey is JYYILPKRJDOTRS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-11-8(12)6-5-7(10)9(13)14-4-2/h7H,3-6,10H2,1-2H3,(H,11,12)/t7-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate?
ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate has a molecular weight of 202.25 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate is sourced from PubChem (CID 71815737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).