(2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid

C10H20N2O3 — CID 107565213

IUPAC(2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)CCNCC)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-5-8(10(14)15)12-9(13)6-7-11-4-2/h8,11H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyATOMHYRRWGLHPS-QMMMGPOBSA-N
MW216.28 g/mol
LogP0.36
Rot. Bonds8

About (2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid

(2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid (PubChem CID 107565213) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid
PubChem CID107565213
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)CCNCC)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-5-8(10(14)15)12-9(13)6-7-11-4-2/h8,11H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyATOMHYRRWGLHPS-QMMMGPOBSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(ethylamino)propanoylamino]-4-methylsulfonylbutanoic acid
CID 55121147
(2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid
CID 114006779
(2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005141
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
3-(ethylamino)-N-hexan-3-ylpropanamide
CID 62836879
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43631087
(2R)-2-(4-aminobutanoylamino)pentanoic acid
CID 103869889
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483
2-[4-(propan-2-ylamino)butanoylamino]pentanoic acid
CID 61160086
6-[3-(ethylamino)propanoylamino]-2-methylheptanoic acid
CID 65286188
2-(18-oxooctadecanoylamino)pentanoic acid
CID 123209154

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid (CID 107565213) is (2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid is CCC[C@H](NC(=O)CCNCC)C(=O)O.
What is the InChIKey of (2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid?
The InChIKey is ATOMHYRRWGLHPS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-5-8(10(14)15)12-9(13)6-7-11-4-2/h8,11H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid?
(2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid is sourced from PubChem (CID 107565213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).