pentyl 2-amino-4-oxopentanoate

C10H19NO3 — CID 154083571

IUPACpentyl 2-amino-4-oxopentanoate
SMILESCCCCCOC(=O)C(N)CC(C)=O
InChIInChI=1S/C10H19NO3/c1-3-4-5-6-14-10(13)9(11)7-8(2)12/h9H,3-7,11H2,1-2H3
InChIKeyRWQLLPZDTIAQFW-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.03
Rot. Bonds7

About pentyl 2-amino-4-oxopentanoate

pentyl 2-amino-4-oxopentanoate (PubChem CID 154083571) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is pentyl 2-amino-4-oxopentanoate.

Molecular Properties

Compound Namepentyl 2-amino-4-oxopentanoate
PubChem CID154083571
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namepentyl 2-amino-4-oxopentanoate
SMILESCCCCCOC(=O)C(N)CC(C)=O
InChIInChI=1S/C10H19NO3/c1-3-4-5-6-14-10(13)9(11)7-8(2)12/h9H,3-7,11H2,1-2H3
InChIKeyRWQLLPZDTIAQFW-UHFFFAOYSA-N
XLogP1.03
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexyl 2-amino-4-oxopentanoate
CID 87214543
hexyl 2-amino-4-oxopentanoate;2-(hexylamino)-4-oxopentanoic acid
CID 175794171
(3S)-3-amino-4-hexoxy-4-oxobutanoate
CID 71371334
decyl 2-aminobutanoate
CID 5124907
heptadecyl (2S)-2-amino-4-methylpentanoate
CID 54540709
hexadecyl (2S)-2-aminohexanoate
CID 10808138
heptyl (2R)-2-aminopentanoate
CID 107565724
heptyl 2-aminopentanoate
CID 61302463
heptyl 2-amino-3-hydroxypropanoate
CID 14657672
dodecyl 2-aminododecanoate
CID 175586127
tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 154585621
dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride
CID 156902414

Frequently Asked Questions

What is the IUPAC name of pentyl 2-amino-4-oxopentanoate?
The IUPAC name of pentyl 2-amino-4-oxopentanoate (CID 154083571) is pentyl 2-amino-4-oxopentanoate.
What is the SMILES notation for pentyl 2-amino-4-oxopentanoate?
The canonical SMILES for pentyl 2-amino-4-oxopentanoate is CCCCCOC(=O)C(N)CC(C)=O.
What is the InChIKey of pentyl 2-amino-4-oxopentanoate?
The InChIKey is RWQLLPZDTIAQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-4-5-6-14-10(13)9(11)7-8(2)12/h9H,3-7,11H2,1-2H3.
What are the key properties of pentyl 2-amino-4-oxopentanoate?
pentyl 2-amino-4-oxopentanoate has a molecular weight of 201.27 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-amino-4-oxopentanoate is sourced from PubChem (CID 154083571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).