heptyl 2-amino-3-hydroxypropanoate

C10H21NO3 — CID 14657672

IUPACheptyl 2-amino-3-hydroxypropanoate
SMILESCCCCCCCOC(=O)C(N)CO
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-6-7-14-10(13)9(11)8-12/h9,12H,2-8,11H2,1H3
InChIKeyBDPXWQRTZWWTHV-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.82
Rot. Bonds8

About heptyl 2-amino-3-hydroxypropanoate

heptyl 2-amino-3-hydroxypropanoate (PubChem CID 14657672) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is heptyl 2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Nameheptyl 2-amino-3-hydroxypropanoate
PubChem CID14657672
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameheptyl 2-amino-3-hydroxypropanoate
SMILESCCCCCCCOC(=O)C(N)CO
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-6-7-14-10(13)9(11)8-12/h9,12H,2-8,11H2,1H3
InChIKeyBDPXWQRTZWWTHV-UHFFFAOYSA-N
XLogP0.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 146680818
2-aminoacetic acid;hexadecyl (2S)-2-amino-3-hydroxypropanoate
CID 174820028
decyl 2-aminobutanoate
CID 5124907
tetradecyl (2R)-2-amino-3-[[(2R)-2-amino-3-oxo-3-tetradecoxypropyl]disulfanyl]propanoate
CID 87067537
dodecyl 2-amino-3-[(2-amino-3-dodecoxy-3-oxopropyl)disulfanyl]propanoate
CID 87067538
heptyl (2R)-2-aminopentanoate
CID 107565724
heptyl 2-aminopentanoate
CID 61302463
hexadecyl (2S)-2-aminohexanoate
CID 10808138
dodecyl 2-aminododecanoate
CID 175586127
propyl (2R)-2-amino-3-hydroxypropanoate
CID 55281348
octyl 2-amino-3-selanylpropanoate
CID 174807396
propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 131729419

Frequently Asked Questions

What is the IUPAC name of heptyl 2-amino-3-hydroxypropanoate?
The IUPAC name of heptyl 2-amino-3-hydroxypropanoate (CID 14657672) is heptyl 2-amino-3-hydroxypropanoate.
What is the SMILES notation for heptyl 2-amino-3-hydroxypropanoate?
The canonical SMILES for heptyl 2-amino-3-hydroxypropanoate is CCCCCCCOC(=O)C(N)CO.
What is the InChIKey of heptyl 2-amino-3-hydroxypropanoate?
The InChIKey is BDPXWQRTZWWTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-3-4-5-6-7-14-10(13)9(11)8-12/h9,12H,2-8,11H2,1H3.
What are the key properties of heptyl 2-amino-3-hydroxypropanoate?
heptyl 2-amino-3-hydroxypropanoate has a molecular weight of 203.28 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl 2-amino-3-hydroxypropanoate is sourced from PubChem (CID 14657672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).