(2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

C14H20N2O5 — CID 159230149

IUPAC(2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C9H11NO2.C5H9NO3/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-3-1-4(5(8)9)6-2-3/h1-5,8H,6,10H2,(H,11,12);3-4,6-7H,1-2H2,(H,8,9)/t8-;3-,4+/m01/s1
InChIKeyKSUIAQLWKGDNGR-BZLSRIERSA-N
MW296.32 g/mol
LogP-0.57
Rot. Bonds4

About (2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 159230149) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID159230149
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C9H11NO2.C5H9NO3/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-3-1-4(5(8)9)6-2-3/h1-5,8H,6,10H2,(H,11,12);3-4,6-7H,1-2H2,(H,8,9)/t8-;3-,4+/m01/s1
InChIKeyKSUIAQLWKGDNGR-BZLSRIERSA-N
XLogP-0.57
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-diamino-N-benzylbutanamide;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 175113737
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 68803057
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
CID 70476310
CID 70476310
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid (CID 159230149) is (2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid is N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is KSUIAQLWKGDNGR-BZLSRIERSA-N. The full InChI is InChI=1S/C9H11NO2.C5H9NO3/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-3-1-4(5(8)9)6-2-3/h1-5,8H,6,10H2,(H,11,12);3-4,6-7H,1-2H2,(H,8,9)/t8-;3-,4+/m01/s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of -0.57, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 159230149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).