2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid

C10H17NO5 — CID 66166255

IUPAC2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
SMILESO=C(CCC1CCCO1)NCC(O)C(=O)O
InChIInChI=1S/C10H17NO5/c12-8(10(14)15)6-11-9(13)4-3-7-2-1-5-16-7/h7-8,12H,1-6H2,(H,11,13)(H,14,15)
InChIKeyIXKBJSUYEQRESK-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.49
Rot. Bonds6

About 2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid

2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid (PubChem CID 66166255) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
PubChem CID66166255
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
SMILESO=C(CCC1CCCO1)NCC(O)C(=O)O
InChIInChI=1S/C10H17NO5/c12-8(10(14)15)6-11-9(13)4-3-7-2-1-5-16-7/h7-8,12H,1-6H2,(H,11,13)(H,14,15)
InChIKeyIXKBJSUYEQRESK-UHFFFAOYSA-N
XLogP-0.49
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 107833848
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
CID 114296653
N-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
N-(2-amino-3-hydroxybutyl)-3-(oxolan-2-yl)propanamide
CID 65160397
4,4-dimethyl-2-[[3-(oxan-2-yl)propanoylamino]methyl]pentanoic acid
CID 107474137
3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
CID 66164999
N-[2-methyl-3-(methylamino)propyl]-3-(oxan-2-yl)propanamide
CID 81479192
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide
CID 114315867
(2R)-2-[(4-methylphenyl)methyl]-3-[3-[(2R)-oxolan-2-yl]propanoylamino]propanoic acid
CID 97324632
2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid
CID 66166616

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid (CID 66166255) is 2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid is O=C(CCC1CCCO1)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid?
The InChIKey is IXKBJSUYEQRESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c12-8(10(14)15)6-11-9(13)4-3-7-2-1-5-16-7/h7-8,12H,1-6H2,(H,11,13)(H,14,15).
What are the key properties of 2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid?
2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 66166255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).