(2-amino-2-oxoethyl) pentanoate

C7H13NO3 — CID 142660312

IUPAC(2-amino-2-oxoethyl) pentanoate
SMILESCCCCC(=O)OCC(N)=O
InChIInChI=1S/C7H13NO3/c1-2-3-4-7(10)11-5-6(8)9/h2-5H2,1H3,(H2,8,9)
InChIKeyWRXGWCRYXWBDOO-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.21
Rot. Bonds5

About (2-amino-2-oxoethyl) pentanoate

(2-amino-2-oxoethyl) pentanoate (PubChem CID 142660312) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) pentanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) pentanoate
PubChem CID142660312
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2-amino-2-oxoethyl) pentanoate
SMILESCCCCC(=O)OCC(N)=O
InChIInChI=1S/C7H13NO3/c1-2-3-4-7(10)11-5-6(8)9/h2-5H2,1H3,(H2,8,9)
InChIKeyWRXGWCRYXWBDOO-UHFFFAOYSA-N
XLogP0.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-heptanoyloxy-2-oxopropyl) heptanoate
CID 134318597
bismuthane;propyl pentanoate
CID 174550006
2-undecanoyloxyacetic acid
CID 88767061
2-tetracosanoyloxyacetic acid
CID 88765616
2-nonanoyloxyacetic acid
CID 19734907
nonyl pentanoate
CID 568602
(2-hydroxyacetyl)oxymethyl pentanoate
CID 59942583
N-(2-amino-2-oxoethoxy)pentanamide
CID 112550822
acetamide;pentanamide
CID 158041283
hydrazine;methyl pentanoate
CID 88709772
10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate
CID 139925196
(2-hexadecoxy-2-oxoethyl) hexanoate
CID 146318627

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) pentanoate?
The IUPAC name of (2-amino-2-oxoethyl) pentanoate (CID 142660312) is (2-amino-2-oxoethyl) pentanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) pentanoate?
The canonical SMILES for (2-amino-2-oxoethyl) pentanoate is CCCCC(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) pentanoate?
The InChIKey is WRXGWCRYXWBDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-3-4-7(10)11-5-6(8)9/h2-5H2,1H3,(H2,8,9).
What are the key properties of (2-amino-2-oxoethyl) pentanoate?
(2-amino-2-oxoethyl) pentanoate has a molecular weight of 159.18 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) pentanoate is sourced from PubChem (CID 142660312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).