(2S)-2-anilinopropanoic acid;oxolane

C13H19NO3 — CID 158034208

IUPAC(2S)-2-anilinopropanoic acid;oxolane
SMILESC1CCOC1.C[C@H](Nc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C4H8O/c1-7(9(11)12)10-8-5-3-2-4-6-8;1-2-4-5-3-1/h2-7,10H,1H3,(H,11,12);1-4H2/t7-;/m0./s1
InChIKeyFHNVKNSPCOPBQO-FJXQXJEOSA-N
MW237.30 g/mol
LogP2.37
Rot. Bonds3

About (2S)-2-anilinopropanoic acid;oxolane

(2S)-2-anilinopropanoic acid;oxolane (PubChem CID 158034208) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S)-2-anilinopropanoic acid;oxolane.

Molecular Properties

Compound Name(2S)-2-anilinopropanoic acid;oxolane
PubChem CID158034208
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(2S)-2-anilinopropanoic acid;oxolane
SMILESC1CCOC1.C[C@H](Nc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C4H8O/c1-7(9(11)12)10-8-5-3-2-4-6-8;1-2-4-5-3-1/h2-7,10H,1H3,(H,11,12);1-4H2/t7-;/m0./s1
InChIKeyFHNVKNSPCOPBQO-FJXQXJEOSA-N
XLogP2.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilinopropanoic acid;hydrochloride
CID 19096756
(2S)-2-(4-benzoylanilino)propanoic acid
CID 54396122
2-(4-benzoylanilino)propanoic acid
CID 23202897
2-(4-pyrrolidin-1-ylanilino)propanoic acid
CID 63179408
(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
(2S)-2-anilinopropanethioic S-acid
CID 87999378
4-[[(1R)-1-carboxyethyl]amino]benzoic acid
CID 45089845
methyl 2-anilinopropanoate
CID 3417283
2-anilino-1-phenylpropan-1-one
CID 577481
(2S)-2-(4-propan-2-ylanilino)propanoic acid
CID 40788300
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilinopropanoic acid;oxolane?
The IUPAC name of (2S)-2-anilinopropanoic acid;oxolane (CID 158034208) is (2S)-2-anilinopropanoic acid;oxolane.
What is the SMILES notation for (2S)-2-anilinopropanoic acid;oxolane?
The canonical SMILES for (2S)-2-anilinopropanoic acid;oxolane is C1CCOC1.C[C@H](Nc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-anilinopropanoic acid;oxolane?
The InChIKey is FHNVKNSPCOPBQO-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H11NO2.C4H8O/c1-7(9(11)12)10-8-5-3-2-4-6-8;1-2-4-5-3-1/h2-7,10H,1H3,(H,11,12);1-4H2/t7-;/m0./s1.
What are the key properties of (2S)-2-anilinopropanoic acid;oxolane?
(2S)-2-anilinopropanoic acid;oxolane has a molecular weight of 237.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilinopropanoic acid;oxolane is sourced from PubChem (CID 158034208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).