ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate

C9H18N2O3 — CID 107568770

IUPACethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate
SMILESCCC[C@H](N)C(=O)NCC(=O)OCC
InChIInChI=1S/C9H18N2O3/c1-3-5-7(10)9(13)11-6-8(12)14-4-2/h7H,3-6,10H2,1-2H3,(H,11,13)/t7-/m0/s1
InChIKeyRLAFLGWPXBQGEI-ZETCQYMHSA-N
MW202.25 g/mol
LogP-0.21
Rot. Bonds6

About ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate

ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate (PubChem CID 107568770) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate
PubChem CID107568770
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate
SMILESCCC[C@H](N)C(=O)NCC(=O)OCC
InChIInChI=1S/C9H18N2O3/c1-3-5-7(10)9(13)11-6-8(12)14-4-2/h7H,3-6,10H2,1-2H3,(H,11,13)/t7-/m0/s1
InChIKeyRLAFLGWPXBQGEI-ZETCQYMHSA-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

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CID 560349
ethyl 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
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ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride
CID 119290933
2-amino-N-propylpentanamide
CID 43649977
(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide
CID 107570801
ethyl 2-[(2,2-difluoroacetyl)amino]acetate
CID 103514329
(2S)-2-amino-N-(2-ethoxyethyl)pentanamide
CID 107568294
diethyl 2-(2-aminopentanoylamino)propanedioate
CID 119275264
ethyl 2-[[(2S)-2,4-dibromobutanoyl]amino]acetate
CID 129394839
2-amino-N-ethoxypentanamide
CID 64974803
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate (CID 107568770) is ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate is CCC[C@H](N)C(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate?
The InChIKey is RLAFLGWPXBQGEI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-5-7(10)9(13)11-6-8(12)14-4-2/h7H,3-6,10H2,1-2H3,(H,11,13)/t7-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate?
ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate 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 2-[[(2S)-2-aminopentanoyl]amino]acetate is sourced from PubChem (CID 107568770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).