5-(1-hydroxypentan-3-ylamino)pentanoic acid

C10H21NO3 — CID 103267708

IUPAC5-(1-hydroxypentan-3-ylamino)pentanoic acid
SMILESCCC(CCO)NCCCCC(=O)O
InChIInChI=1S/C10H21NO3/c1-2-9(6-8-12)11-7-4-3-5-10(13)14/h9,11-12H,2-8H2,1H3,(H,13,14)
InChIKeyHNJWIRCTDDLEQW-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.99
Rot. Bonds9

About 5-(1-hydroxypentan-3-ylamino)pentanoic acid

5-(1-hydroxypentan-3-ylamino)pentanoic acid (PubChem CID 103267708) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 5-(1-hydroxypentan-3-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(1-hydroxypentan-3-ylamino)pentanoic acid
PubChem CID103267708
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name5-(1-hydroxypentan-3-ylamino)pentanoic acid
SMILESCCC(CCO)NCCCCC(=O)O
InChIInChI=1S/C10H21NO3/c1-2-9(6-8-12)11-7-4-3-5-10(13)14/h9,11-12H,2-8H2,1H3,(H,13,14)
InChIKeyHNJWIRCTDDLEQW-UHFFFAOYSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.99
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

(4S)-4-[(4-methoxy-4-oxobutyl)amino]hexanoic acid
CID 87856835
hexadecanoic acid;2-(2-hydroxyethylamino)icosan-1-ol
CID 90146184
N,N-dihydroxy-2-(pentylamino)butan-1-amine oxide;tetradecanoic acid
CID 174699083
4-(decylamino)dodecanoic acid
CID 19918566
6-(1-hydroxydecylamino)hexanoic acid
CID 57248490
6-(1-hydroxyoctylamino)hexanoic acid
CID 57164493
bis(butan-2-amine);decanedioic acid;ethane-1,2-diol
CID 175302378
3-(octadecylamino)pentane-1,5-diol;hydrochloride
CID 173050552
5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid
CID 103266088
5-(5-methylhexan-2-ylamino)pentanoic acid
CID 103252184
octadecanoic acid;N-propan-2-ylpentadecan-1-amine
CID 174971030
18-amino-17-(15-carboxypentadecylamino)nonadecanoic acid
CID 54385697

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypentan-3-ylamino)pentanoic acid?
The IUPAC name of 5-(1-hydroxypentan-3-ylamino)pentanoic acid (CID 103267708) is 5-(1-hydroxypentan-3-ylamino)pentanoic acid.
What is the SMILES notation for 5-(1-hydroxypentan-3-ylamino)pentanoic acid?
The canonical SMILES for 5-(1-hydroxypentan-3-ylamino)pentanoic acid is CCC(CCO)NCCCCC(=O)O.
What is the InChIKey of 5-(1-hydroxypentan-3-ylamino)pentanoic acid?
The InChIKey is HNJWIRCTDDLEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-9(6-8-12)11-7-4-3-5-10(13)14/h9,11-12H,2-8H2,1H3,(H,13,14).
What are the key properties of 5-(1-hydroxypentan-3-ylamino)pentanoic acid?
5-(1-hydroxypentan-3-ylamino)pentanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.99, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypentan-3-ylamino)pentanoic acid is sourced from PubChem (CID 103267708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).