CID 59233631

C4H7NO2 — CID 59233631

IUPAC—
SMILES[CH]C(=O)[C@H](N)CO
InChIInChI=1S/C4H7NO2/c1-3(7)4(5)2-6/h1,4,6H,2,5H2/t4-/m1/s1
InChIKeyFACIGGNPGUWIOE-SCSAIBSYSA-N
MW101.10 g/mol
LogP-1.41
Rot. Bonds2

About CID 59233631

CID 59233631 (PubChem CID 59233631) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol.

Molecular Properties

Compound NameCID 59233631
PubChem CID59233631
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name—
SMILES[CH]C(=O)[C@H](N)CO
InChIInChI=1S/C4H7NO2/c1-3(7)4(5)2-6/h1,4,6H,2,5H2/t4-/m1/s1
InChIKeyFACIGGNPGUWIOE-SCSAIBSYSA-N
XLogP-1.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-3-amino-4-hydroxybutan-2-one
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CID 157089134
CID 157089134
2-amino-3-hydroxypropanamide;hydrochloride
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(2R)-2-amino-3-hydroxypropanoate
CID 5460788
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
sodium 2-amino-3-hydroxypropanoate
CID 23676048
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87148112
[(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane
CID 175565724
(3R)-3-amino-4-hydroxy-1-sulfanylbutan-2-one
CID 174592431
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731

Frequently Asked Questions

What is the IUPAC name of CID 59233631?
The IUPAC name of CID 59233631 (CID 59233631) is not available.
What is the SMILES notation for CID 59233631?
The canonical SMILES for CID 59233631 is [CH]C(=O)[C@H](N)CO.
What is the InChIKey of CID 59233631?
The InChIKey is FACIGGNPGUWIOE-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-3(7)4(5)2-6/h1,4,6H,2,5H2/t4-/m1/s1.
What are the key properties of CID 59233631?
CID 59233631 has a molecular weight of 101.10 g/mol, XLogP of -1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59233631 is sourced from PubChem (CID 59233631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).