4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid

C8H14N2O4 — CID 66238925

IUPAC4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
SMILESC[C@@H](N)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-4(9)7(11)10-6-3-14-2-5(6)8(12)13/h4-6H,2-3,9H2,1H3,(H,10,11)(H,12,13)/t4-,5?,6?/m1/s1
InChIKeyJHIILQDBEJCBJP-IISSFJTQSA-N
MW202.21 g/mol
LogP-1.45
Rot. Bonds3

About 4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid

4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66238925) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
PubChem CID66238925
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
SMILESC[C@@H](N)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-4(9)7(11)10-6-3-14-2-5(6)8(12)13/h4-6H,2-3,9H2,1H3,(H,10,11)(H,12,13)/t4-,5?,6?/m1/s1
InChIKeyJHIILQDBEJCBJP-IISSFJTQSA-N
XLogP-1.45
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
CID 82961331
(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide
CID 130491694
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid
CID 66238523
(2R)-2-amino-N-(2-methylcyclopropyl)propanamide
CID 62398561
4-(3-methylpentanoylamino)oxolane-3-carboxylic acid
CID 114873780
4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241338
4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid
CID 66222900
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239563
4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 104553066
4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240346
4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239576
(2S)-2-amino-N-(3-hydroxycyclobutyl)propanamide
CID 79026243

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid (CID 66238925) is 4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid is C[C@@H](N)C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is JHIILQDBEJCBJP-IISSFJTQSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-4(9)7(11)10-6-3-14-2-5(6)8(12)13/h4-6H,2-3,9H2,1H3,(H,10,11)(H,12,13)/t4-,5?,6?/m1/s1.
What are the key properties of 4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid?
4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of -1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).