5-(3-hydroxypropylamino)-2-methylidenepentanoic acid

C9H17NO3 — CID 87162981

IUPAC5-(3-hydroxypropylamino)-2-methylidenepentanoic acid
SMILESC=C(CCCNCCCO)C(=O)O
InChIInChI=1S/C9H17NO3/c1-8(9(12)13)4-2-5-10-6-3-7-11/h10-11H,1-7H2,(H,12,13)
InChIKeyYPQZKMPDVCZLMU-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.38
Rot. Bonds8

About 5-(3-hydroxypropylamino)-2-methylidenepentanoic acid

5-(3-hydroxypropylamino)-2-methylidenepentanoic acid (PubChem CID 87162981) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-(3-hydroxypropylamino)-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-(3-hydroxypropylamino)-2-methylidenepentanoic acid
PubChem CID87162981
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name5-(3-hydroxypropylamino)-2-methylidenepentanoic acid
SMILESC=C(CCCNCCCO)C(=O)O
InChIInChI=1S/C9H17NO3/c1-8(9(12)13)4-2-5-10-6-3-7-11/h10-11H,1-7H2,(H,12,13)
InChIKeyYPQZKMPDVCZLMU-UHFFFAOYSA-N
XLogP0.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylidene-6-(propylamino)hexanoic acid
CID 22266622
7-(butylamino)-2-methylideneheptanoic acid
CID 88729465
6-(ethylamino)-2-methylidenehexanoic acid
CID 22731125
2,11-dimethylidenedodecanedioic acid
CID 20542368
methyl 4-(3-hydroxypropylamino)butanoate
CID 43392879
2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid
CID 18407922
2-methylidene-6-oxohexanoic acid
CID 87328269
3-(3-hydroxypropylamino)propyl-methylcarbamic acid
CID 174166438
7-(methylamino)-2-methylideneheptanoic acid
CID 118649610
4-(3-carboxypropylamino)butanoic acid
CID 4072500
6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid
CID 57278988
5-chloro-2-methylidenepentanoic acid
CID 10953677

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropylamino)-2-methylidenepentanoic acid?
The IUPAC name of 5-(3-hydroxypropylamino)-2-methylidenepentanoic acid (CID 87162981) is 5-(3-hydroxypropylamino)-2-methylidenepentanoic acid.
What is the SMILES notation for 5-(3-hydroxypropylamino)-2-methylidenepentanoic acid?
The canonical SMILES for 5-(3-hydroxypropylamino)-2-methylidenepentanoic acid is C=C(CCCNCCCO)C(=O)O.
What is the InChIKey of 5-(3-hydroxypropylamino)-2-methylidenepentanoic acid?
The InChIKey is YPQZKMPDVCZLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(9(12)13)4-2-5-10-6-3-7-11/h10-11H,1-7H2,(H,12,13).
What are the key properties of 5-(3-hydroxypropylamino)-2-methylidenepentanoic acid?
5-(3-hydroxypropylamino)-2-methylidenepentanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropylamino)-2-methylidenepentanoic acid is sourced from PubChem (CID 87162981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).