(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid

C10H18N2O5 — CID 114005133

IUPAC(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCCNCC(=O)N[C@@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-11-6-8(13)12-7(10(15)16)4-5-9(14)17-2/h7,11H,3-6H2,1-2H3,(H,12,13)(H,15,16)/t7-/m0/s1
InChIKeyDREWEXDPODCHTR-ZETCQYMHSA-N
MW246.26 g/mol
LogP-0.88
Rot. Bonds8

About (2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid

(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 114005133) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID114005133
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCCNCC(=O)N[C@@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-11-6-8(13)12-7(10(15)16)4-5-9(14)17-2/h7,11H,3-6H2,1-2H3,(H,12,13)(H,15,16)/t7-/m0/s1
InChIKeyDREWEXDPODCHTR-ZETCQYMHSA-N
XLogP-0.88
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005141
5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid
CID 82787521
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid
CID 82786530
2-[3-(ethylamino)butanoylamino]-5-methoxy-5-oxopentanoic acid
CID 82786423
(2R)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828859
(2S)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828861
(2R)-2-(4-ethoxybutanoylamino)-5-methoxy-5-oxopentanoic acid
CID 107820770
(2R)-2-[(2-tert-butylsulfanylacetyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820679
(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid
CID 113342345
(2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820376
(2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107824435

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid (CID 114005133) is (2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid is CCNCC(=O)N[C@@H](CCC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is DREWEXDPODCHTR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-3-11-6-8(13)12-7(10(15)16)4-5-9(14)17-2/h7,11H,3-6H2,1-2H3,(H,12,13)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 114005133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).