2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid

C8H13NO5 — CID 66166616

IUPAC2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid
SMILESO=C(O)C(O)CNC(=O)C1CCCO1
InChIInChI=1S/C8H13NO5/c10-5(8(12)13)4-9-7(11)6-2-1-3-14-6/h5-6,10H,1-4H2,(H,9,11)(H,12,13)
InChIKeyYAZAHKAULLNCHT-UHFFFAOYSA-N
MW203.19 g/mol
LogP-1.27
Rot. Bonds4

About 2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid

2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid (PubChem CID 66166616) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid
PubChem CID66166616
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid
SMILESO=C(O)C(O)CNC(=O)C1CCCO1
InChIInChI=1S/C8H13NO5/c10-5(8(12)13)4-9-7(11)6-2-1-3-14-6/h5-6,10H,1-4H2,(H,9,11)(H,12,13)
InChIKeyYAZAHKAULLNCHT-UHFFFAOYSA-N
XLogP-1.27
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(oxolane-2-carbonylamino)propanoic acid
CID 53211445
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 104855649
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855763
(2R)-N-(3,3-difluoro-2-hydroxypropyl)oxolane-2-carboxamide
CID 103850586
(2R)-N-[2-methyl-3-(methylamino)propyl]oxolane-2-carboxamide
CID 104856434
4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid
CID 104855855
(2R)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103850592
3-methyl-2-[(oxane-2-carbonylamino)methyl]butanoic acid
CID 65219907
(2S)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103873933
N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65037062

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid (CID 66166616) is 2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid is O=C(O)C(O)CNC(=O)C1CCCO1.
What is the InChIKey of 2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid?
The InChIKey is YAZAHKAULLNCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c10-5(8(12)13)4-9-7(11)6-2-1-3-14-6/h5-6,10H,1-4H2,(H,9,11)(H,12,13).
What are the key properties of 2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid?
2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid has a molecular weight of 203.19 g/mol, XLogP of -1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid is sourced from PubChem (CID 66166616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).