2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid

C10H18N2O4 — CID 115729847

IUPAC2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid
SMILESCCNC(=O)CCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-3-11-8(13)5-4-6-9(14)12(2)7-10(15)16/h3-7H2,1-2H3,(H,11,13)(H,15,16)
InChIKeyHODLIYBFWDPBBZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.16
Rot. Bonds7

About 2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid

2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid (PubChem CID 115729847) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid
PubChem CID115729847
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid
SMILESCCNC(=O)CCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-3-11-8(13)5-4-6-9(14)12(2)7-10(15)16/h3-7H2,1-2H3,(H,11,13)(H,15,16)
InChIKeyHODLIYBFWDPBBZ-UHFFFAOYSA-N
XLogP-0.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-3-oxopropanoic acid
CID 62230429
3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
CID 60948700
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide
CID 107025957
20-(ethylamino)-20-oxoicosanoic acid
CID 59533791
potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
CID 174463731
2-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190
2-[[(E)-hexadec-8-enoyl]-methylamino]acetic acid
CID 20606581
2-[methyl(octadec-11-enoyl)amino]acetic acid
CID 175197754
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;zinc
CID 158929177
N,N'-diethylnonanediamide
CID 89048639
2-[6-fluorohexanoyl(methyl)amino]acetic acid
CID 101279688

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid (CID 115729847) is 2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid is CCNC(=O)CCCC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid?
The InChIKey is HODLIYBFWDPBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-11-8(13)5-4-6-9(14)12(2)7-10(15)16/h3-7H2,1-2H3,(H,11,13)(H,15,16).
What are the key properties of 2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid?
2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid is sourced from PubChem (CID 115729847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).