2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide

C9H18N2O4 — CID 135228994

IUPAC2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide
SMILESNC(CCC=O)C(=O)NCCOCCO
InChIInChI=1S/C9H18N2O4/c10-8(2-1-4-12)9(14)11-3-6-15-7-5-13/h4,8,13H,1-3,5-7,10H2,(H,11,14)
InChIKeyHNXMVFZIEUVPJH-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.58
Rot. Bonds9

About 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide

2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide (PubChem CID 135228994) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide
PubChem CID135228994
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide
SMILESNC(CCC=O)C(=O)NCCOCCO
InChIInChI=1S/C9H18N2O4/c10-8(2-1-4-12)9(14)11-3-6-15-7-5-13/h4,8,13H,1-3,5-7,10H2,(H,11,14)
InChIKeyHNXMVFZIEUVPJH-UHFFFAOYSA-N
XLogP-1.58
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
CID 62476612
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxypropanamide
CID 81089376
(2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide
CID 89199743
4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64888561
2-amino-N-[2-(2-hydroxyethoxy)ethyl]butanamide
CID 61273537
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 78973371
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223
(2S)-2-amino-N-ethyl-5-oxopentanamide
CID 144523819
2-amino-N-[2-(2-hydroxyethoxy)ethyl]pent-4-ynamide
CID 115563193
2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide
CID 103950985
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
CID 61275037

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide?
The IUPAC name of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide (CID 135228994) is 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide.
What is the SMILES notation for 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide?
The canonical SMILES for 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide is NC(CCC=O)C(=O)NCCOCCO.
What is the InChIKey of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide?
The InChIKey is HNXMVFZIEUVPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c10-8(2-1-4-12)9(14)11-3-6-15-7-5-13/h4,8,13H,1-3,5-7,10H2,(H,11,14).
What are the key properties of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide?
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide has a molecular weight of 218.25 g/mol, XLogP of -1.58, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide is sourced from PubChem (CID 135228994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).