5-amino-N-(1,4-dihydroxybutyl)pentanamide

C9H20N2O3 — CID 90749374

IUPAC5-amino-N-(1,4-dihydroxybutyl)pentanamide
SMILESNCCCCC(=O)NC(O)CCCO
InChIInChI=1S/C9H20N2O3/c10-6-2-1-4-8(13)11-9(14)5-3-7-12/h9,12,14H,1-7,10H2,(H,11,13)
InChIKeyJTGYQYZXCLXMNP-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.68
Rot. Bonds8

About 5-amino-N-(1,4-dihydroxybutyl)pentanamide

5-amino-N-(1,4-dihydroxybutyl)pentanamide (PubChem CID 90749374) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-amino-N-(1,4-dihydroxybutyl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(1,4-dihydroxybutyl)pentanamide
PubChem CID90749374
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name5-amino-N-(1,4-dihydroxybutyl)pentanamide
SMILESNCCCCC(=O)NC(O)CCCO
InChIInChI=1S/C9H20N2O3/c10-6-2-1-4-8(13)11-9(14)5-3-7-12/h9,12,14H,1-7,10H2,(H,11,13)
InChIKeyJTGYQYZXCLXMNP-UHFFFAOYSA-N
XLogP-0.68
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177679
7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79250170
1,4-dihydroxybutylcarbamic acid
CID 174782853
N-(1,3-dihydroxypropyl)heptanamide
CID 130176524
2-(7-aminoheptanoylamino)-3-hydroxypropanoic acid
CID 61157743
(2S)-6-amino-2-(8-aminooctanoylamino)hexanoic acid
CID 118249963
6-amino-2-(6-aminohexanoylamino)hexanoic acid
CID 19028400
4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314276
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide
CID 163435862
N-(6-aminohexan-2-yl)octanamide
CID 123172105
(2S)-2-(5-aminopentanoylamino)pentanoic acid
CID 103869799

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,4-dihydroxybutyl)pentanamide?
The IUPAC name of 5-amino-N-(1,4-dihydroxybutyl)pentanamide (CID 90749374) is 5-amino-N-(1,4-dihydroxybutyl)pentanamide.
What is the SMILES notation for 5-amino-N-(1,4-dihydroxybutyl)pentanamide?
The canonical SMILES for 5-amino-N-(1,4-dihydroxybutyl)pentanamide is NCCCCC(=O)NC(O)CCCO.
What is the InChIKey of 5-amino-N-(1,4-dihydroxybutyl)pentanamide?
The InChIKey is JTGYQYZXCLXMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c10-6-2-1-4-8(13)11-9(14)5-3-7-12/h9,12,14H,1-7,10H2,(H,11,13).
What are the key properties of 5-amino-N-(1,4-dihydroxybutyl)pentanamide?
5-amino-N-(1,4-dihydroxybutyl)pentanamide has a molecular weight of 204.27 g/mol, XLogP of -0.68, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,4-dihydroxybutyl)pentanamide is sourced from PubChem (CID 90749374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).