(pentylamino)methyl propanoate

C9H19NO2 — CID 141341777

IUPAC(pentylamino)methyl propanoate
SMILESCCCCCNCOC(=O)CC
InChIInChI=1S/C9H19NO2/c1-3-5-6-7-10-8-12-9(11)4-2/h10H,3-8H2,1-2H3
InChIKeySUOIZSCATQBJHV-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.68
Rot. Bonds7

About (pentylamino)methyl propanoate

(pentylamino)methyl propanoate (PubChem CID 141341777) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (pentylamino)methyl propanoate.

Molecular Properties

Compound Name(pentylamino)methyl propanoate
PubChem CID141341777
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(pentylamino)methyl propanoate
SMILESCCCCCNCOC(=O)CC
InChIInChI=1S/C9H19NO2/c1-3-5-6-7-10-8-12-9(11)4-2/h10H,3-8H2,1-2H3
InChIKeySUOIZSCATQBJHV-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(hexadecylamino)ethyl propanoate
CID 174467730
3-(butylamino)propyl propanoate
CID 82532356
pentyl propanoate;hydrofluoride
CID 174645674
ethyl 3-(octylamino)propanoate
CID 46318537
butyl 2-(octylamino)acetate
CID 115567498
butan-2-one;N-butylbutan-1-amine
CID 161180085
carbonic acid;N-hexylhexan-1-amine
CID 174995198
nonyl 4-(nonylamino)butanoate
CID 142432007
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
methyl 2-(hexylamino)acetate;hydrochloride
CID 141426324
disodium;N'-pentylethane-1,2-diamine;propanoate
CID 174680589
2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid
CID 178182226

Frequently Asked Questions

What is the IUPAC name of (pentylamino)methyl propanoate?
The IUPAC name of (pentylamino)methyl propanoate (CID 141341777) is (pentylamino)methyl propanoate.
What is the SMILES notation for (pentylamino)methyl propanoate?
The canonical SMILES for (pentylamino)methyl propanoate is CCCCCNCOC(=O)CC.
What is the InChIKey of (pentylamino)methyl propanoate?
The InChIKey is SUOIZSCATQBJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-5-6-7-10-8-12-9(11)4-2/h10H,3-8H2,1-2H3.
What are the key properties of (pentylamino)methyl propanoate?
(pentylamino)methyl propanoate has a molecular weight of 173.26 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (pentylamino)methyl propanoate is sourced from PubChem (CID 141341777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).