propyl 3-amino-2-oxopentanoate

C8H15NO3 — CID 141214202

IUPACpropyl 3-amino-2-oxopentanoate
SMILESCCCOC(=O)C(=O)C(N)CC
InChIInChI=1S/C8H15NO3/c1-3-5-12-8(11)7(10)6(9)4-2/h6H,3-5,9H2,1-2H3
InChIKeySYPVTTYMPDAYEL-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.25
Rot. Bonds5

About propyl 3-amino-2-oxopentanoate

propyl 3-amino-2-oxopentanoate (PubChem CID 141214202) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is propyl 3-amino-2-oxopentanoate.

Molecular Properties

Compound Namepropyl 3-amino-2-oxopentanoate
PubChem CID141214202
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namepropyl 3-amino-2-oxopentanoate
SMILESCCCOC(=O)C(=O)C(N)CC
InChIInChI=1S/C8H15NO3/c1-3-5-12-8(11)7(10)6(9)4-2/h6H,3-5,9H2,1-2H3
InChIKeySYPVTTYMPDAYEL-UHFFFAOYSA-N
XLogP0.25
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 3-amino-2-oxopentanoate
CID 141214203
1-O-ethyl 2-O-propyl oxalate
CID 6420312
propyl (2R)-2-amino-3-hydroxypropanoate
CID 55281348
butyl 3-bromo-2-oxopentanoate
CID 86648534
propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 131729419
propyl 4-amino-2-methylpent-2-enoate
CID 173339937
dipropyl 2-(2-methylpropyl)-3-propan-2-ylbut-2-enedioate
CID 123645482
hydrazine;2-oxo-2-propoxyacetate
CID 22449370
propyl (2R)-2-methylbutanoate
CID 86306230
dipropyl 2,3-bis(2-methylpropyl)but-2-enedioate
CID 123952538
1-O-propan-2-yl 3-O-propyl 2-oxopropanedioate
CID 54225091
decyl 2-aminobutanoate
CID 5124907

Frequently Asked Questions

What is the IUPAC name of propyl 3-amino-2-oxopentanoate?
The IUPAC name of propyl 3-amino-2-oxopentanoate (CID 141214202) is propyl 3-amino-2-oxopentanoate.
What is the SMILES notation for propyl 3-amino-2-oxopentanoate?
The canonical SMILES for propyl 3-amino-2-oxopentanoate is CCCOC(=O)C(=O)C(N)CC.
What is the InChIKey of propyl 3-amino-2-oxopentanoate?
The InChIKey is SYPVTTYMPDAYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-5-12-8(11)7(10)6(9)4-2/h6H,3-5,9H2,1-2H3.
What are the key properties of propyl 3-amino-2-oxopentanoate?
propyl 3-amino-2-oxopentanoate has a molecular weight of 173.21 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-amino-2-oxopentanoate is sourced from PubChem (CID 141214202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).