butane;2-(hydroxyamino)pentanoic acid

C9H21NO3 — CID 90041467

IUPACbutane;2-(hydroxyamino)pentanoic acid
SMILESCCCC.CCCC(NO)C(=O)O
InChIInChI=1S/C5H11NO3.C4H10/c1-2-3-4(6-9)5(7)8;1-3-4-2/h4,6,9H,2-3H2,1H3,(H,7,8);3-4H2,1-2H3
InChIKeyJDNJTZLPDKTDKM-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.02
Rot. Bonds5

About butane;2-(hydroxyamino)pentanoic acid

butane;2-(hydroxyamino)pentanoic acid (PubChem CID 90041467) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is butane;2-(hydroxyamino)pentanoic acid.

Molecular Properties

Compound Namebutane;2-(hydroxyamino)pentanoic acid
PubChem CID90041467
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Namebutane;2-(hydroxyamino)pentanoic acid
SMILESCCCC.CCCC(NO)C(=O)O
InChIInChI=1S/C5H11NO3.C4H10/c1-2-3-4(6-9)5(7)8;1-3-4-2/h4,6,9H,2-3H2,1H3,(H,7,8);3-4H2,1-2H3
InChIKeyJDNJTZLPDKTDKM-UHFFFAOYSA-N
XLogP2.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(methylamino)pentanoic acid
CID 15677248
(2S)-2-(iodoamino)pentanoic acid
CID 175707899
(2R)-2-(oxidoamino)pentanoic acid
CID 141472977
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
2-(3,3-dimethylbutanoylamino)pentanoic acid
CID 43631047
(2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid
CID 107562837
(2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid
CID 87429227
(2S)-2-(methylamino)pentanoic acid;molecular hydrogen;propane
CID 169240700
(2R)-2-(2-methylprop-2-enoylamino)pentanoic acid
CID 102242630
CID 159174397
CID 159174397
(2S)-2-(3-methylbut-2-enoylamino)pentanoic acid
CID 107564530
(2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid
CID 107564391

Frequently Asked Questions

What is the IUPAC name of butane;2-(hydroxyamino)pentanoic acid?
The IUPAC name of butane;2-(hydroxyamino)pentanoic acid (CID 90041467) is butane;2-(hydroxyamino)pentanoic acid.
What is the SMILES notation for butane;2-(hydroxyamino)pentanoic acid?
The canonical SMILES for butane;2-(hydroxyamino)pentanoic acid is CCCC.CCCC(NO)C(=O)O.
What is the InChIKey of butane;2-(hydroxyamino)pentanoic acid?
The InChIKey is JDNJTZLPDKTDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.C4H10/c1-2-3-4(6-9)5(7)8;1-3-4-2/h4,6,9H,2-3H2,1H3,(H,7,8);3-4H2,1-2H3.
What are the key properties of butane;2-(hydroxyamino)pentanoic acid?
butane;2-(hydroxyamino)pentanoic acid has a molecular weight of 191.27 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-(hydroxyamino)pentanoic acid is sourced from PubChem (CID 90041467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).