(4S)-4-amino-5-oxopentanoic acid;methane

C7H17NO3 — CID 162048399

IUPAC(4S)-4-amino-5-oxopentanoic acid;methane
SMILESC.C.N[C@H](C=O)CCC(=O)O
InChIInChI=1S/C5H9NO3.2CH4/c6-4(3-7)1-2-5(8)9;;/h3-4H,1-2,6H2,(H,8,9);2*1H4/t4-;;/m0../s1
InChIKeyYYFIHNULHIRFBC-FHNDMYTFSA-N
MW163.22 g/mol
LogP0.65
Rot. Bonds4

About (4S)-4-amino-5-oxopentanoic acid;methane

(4S)-4-amino-5-oxopentanoic acid;methane (PubChem CID 162048399) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (4S)-4-amino-5-oxopentanoic acid;methane.

Molecular Properties

Compound Name(4S)-4-amino-5-oxopentanoic acid;methane
PubChem CID162048399
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name(4S)-4-amino-5-oxopentanoic acid;methane
SMILESC.C.N[C@H](C=O)CCC(=O)O
InChIInChI=1S/C5H9NO3.2CH4/c6-4(3-7)1-2-5(8)9;;/h3-4H,1-2,6H2,(H,8,9);2*1H4/t4-;;/m0../s1
InChIKeyYYFIHNULHIRFBC-FHNDMYTFSA-N
XLogP0.65
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-oxopentanoic acid;dihydrochloride
CID 23172563
(4S)-4-amino-5-oxopentanoate
CID 16722117
3-[(3-amino-4-oxobutyl)-hydroxyphosphoryl]propanoic acid
CID 89169077
4-amino-5,6-ditritiohex-5-enoic acid
CID 16687996
(2R)-2-aminopentanedioic acid;formamide
CID 87175197
sodium;(3S)-3-amino-4-oxobutanoic acid;hydride
CID 175446278
2-aminopentanedioic acid;but-2-enedioic acid
CID 173039009
2-[(4-amino-5-oxopentanoyl)amino]-2-(carboxyamino)acetic acid
CID 129083272
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
4-amino-4-fluorobutanoic acid
CID 20508342

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxopentanoic acid;methane?
The IUPAC name of (4S)-4-amino-5-oxopentanoic acid;methane (CID 162048399) is (4S)-4-amino-5-oxopentanoic acid;methane.
What is the SMILES notation for (4S)-4-amino-5-oxopentanoic acid;methane?
The canonical SMILES for (4S)-4-amino-5-oxopentanoic acid;methane is C.C.N[C@H](C=O)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-5-oxopentanoic acid;methane?
The InChIKey is YYFIHNULHIRFBC-FHNDMYTFSA-N. The full InChI is InChI=1S/C5H9NO3.2CH4/c6-4(3-7)1-2-5(8)9;;/h3-4H,1-2,6H2,(H,8,9);2*1H4/t4-;;/m0../s1.
What are the key properties of (4S)-4-amino-5-oxopentanoic acid;methane?
(4S)-4-amino-5-oxopentanoic acid;methane has a molecular weight of 163.22 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxopentanoic acid;methane is sourced from PubChem (CID 162048399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).