propyl (2R)-2-amino-3-hydroxypropanoate

C6H13NO3 — CID 55281348

IUPACpropyl (2R)-2-amino-3-hydroxypropanoate
SMILESCCCOC(=O)[C@H](N)CO
InChIInChI=1S/C6H13NO3/c1-2-3-10-6(9)5(7)4-8/h5,8H,2-4,7H2,1H3/t5-/m1/s1
InChIKeyVZNRCOQNPQNNKI-RXMQYKEDSA-N
MW147.17 g/mol
LogP-0.74
Rot. Bonds4

About propyl (2R)-2-amino-3-hydroxypropanoate

propyl (2R)-2-amino-3-hydroxypropanoate (PubChem CID 55281348) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is propyl (2R)-2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Namepropyl (2R)-2-amino-3-hydroxypropanoate
PubChem CID55281348
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namepropyl (2R)-2-amino-3-hydroxypropanoate
SMILESCCCOC(=O)[C@H](N)CO
InChIInChI=1S/C6H13NO3/c1-2-3-10-6(9)5(7)4-8/h5,8H,2-4,7H2,1H3/t5-/m1/s1
InChIKeyVZNRCOQNPQNNKI-RXMQYKEDSA-N
XLogP-0.74
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 131729419
2-propoxyethyl 2-amino-3-hydroxypropanoate
CID 63685229
heptyl 2-amino-3-hydroxypropanoate
CID 14657672
dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 146680818
2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate
CID 174781046
2-aminoacetic acid;hexadecyl (2S)-2-amino-3-hydroxypropanoate
CID 174820028
4-amino-2-methyl-5-oxo-5-propoxypentanoic acid
CID 154095903
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
propyl 2-amino-3-oxobutanoate
CID 174900765
dipropyl 2,3-diiodobutanedioate
CID 87640369
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
butyl (2R)-2-amino-3-[[(2R)-2-amino-3-butoxy-3-oxopropyl]disulfanyl]propanoate
CID 87067762

Frequently Asked Questions

What is the IUPAC name of propyl (2R)-2-amino-3-hydroxypropanoate?
The IUPAC name of propyl (2R)-2-amino-3-hydroxypropanoate (CID 55281348) is propyl (2R)-2-amino-3-hydroxypropanoate.
What is the SMILES notation for propyl (2R)-2-amino-3-hydroxypropanoate?
The canonical SMILES for propyl (2R)-2-amino-3-hydroxypropanoate is CCCOC(=O)[C@H](N)CO.
What is the InChIKey of propyl (2R)-2-amino-3-hydroxypropanoate?
The InChIKey is VZNRCOQNPQNNKI-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-3-10-6(9)5(7)4-8/h5,8H,2-4,7H2,1H3/t5-/m1/s1.
What are the key properties of propyl (2R)-2-amino-3-hydroxypropanoate?
propyl (2R)-2-amino-3-hydroxypropanoate has a molecular weight of 147.17 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2R)-2-amino-3-hydroxypropanoate is sourced from PubChem (CID 55281348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).