(2-aminoacetyl) 2-propylpentanoate

C10H19NO3 — CID 87611330

IUPAC(2-aminoacetyl) 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OC(=O)CN
InChIInChI=1S/C10H19NO3/c1-3-5-8(6-4-2)10(13)14-9(12)7-11/h8H,3-7,11H2,1-2H3
InChIKeyZFKSOAXUMNQFGY-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.23
Rot. Bonds6

About (2-aminoacetyl) 2-propylpentanoate

(2-aminoacetyl) 2-propylpentanoate (PubChem CID 87611330) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2-aminoacetyl) 2-propylpentanoate.

Molecular Properties

Compound Name(2-aminoacetyl) 2-propylpentanoate
PubChem CID87611330
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2-aminoacetyl) 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OC(=O)CN
InChIInChI=1S/C10H19NO3/c1-3-5-8(6-4-2)10(13)14-9(12)7-11/h8H,3-7,11H2,1-2H3
InChIKeyZFKSOAXUMNQFGY-UHFFFAOYSA-N
XLogP1.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-propylpentanoyl 2-propylpentanoate
CID 10923624
2-propylnonanoyl 2-propylnonanoate
CID 54359138
propanoyl 2-butylheptanoate
CID 146464284
silyl 2-propylpentanoate
CID 123713518
ethene;ethyl 2-propylpentanoate
CID 160741230
(2-aminoacetyl) 2-hydroxypropanoate
CID 87499262
(5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride
CID 25155288
(2-aminoacetyl) 2-hydroxypropanoate;copper
CID 87635817
tetradecanoyl 2-hexyldecanoate
CID 175257900
heptanoyl 2-octyldodecanoate
CID 135235632
2-propylhept-6-enoyl 2-propylhept-6-enoate
CID 139914283
methyl 2-(aminomethyl)pentanoate
CID 65220226

Frequently Asked Questions

What is the IUPAC name of (2-aminoacetyl) 2-propylpentanoate?
The IUPAC name of (2-aminoacetyl) 2-propylpentanoate (CID 87611330) is (2-aminoacetyl) 2-propylpentanoate.
What is the SMILES notation for (2-aminoacetyl) 2-propylpentanoate?
The canonical SMILES for (2-aminoacetyl) 2-propylpentanoate is CCCC(CCC)C(=O)OC(=O)CN.
What is the InChIKey of (2-aminoacetyl) 2-propylpentanoate?
The InChIKey is ZFKSOAXUMNQFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-5-8(6-4-2)10(13)14-9(12)7-11/h8H,3-7,11H2,1-2H3.
What are the key properties of (2-aminoacetyl) 2-propylpentanoate?
(2-aminoacetyl) 2-propylpentanoate has a molecular weight of 201.27 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoacetyl) 2-propylpentanoate is sourced from PubChem (CID 87611330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).