(2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine

C12H20N2O3 — CID 66730568

IUPAC(2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine
SMILESCC(N)Cc1ccccc1.N[C@@H](CO)C(=O)O
InChIInChI=1S/C9H13N.C3H7NO3/c1-8(10)7-9-5-3-2-4-6-9;4-2(1-5)3(6)7/h2-6,8H,7,10H2,1H3;2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyIDGQTIXKPRNNMD-WNQIDUERSA-N
MW240.30 g/mol
LogP-0.03
Rot. Bonds4

About (2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine

(2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine (PubChem CID 66730568) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine
PubChem CID66730568
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine
SMILESCC(N)Cc1ccccc1.N[C@@H](CO)C(=O)O
InChIInChI=1S/C9H13N.C3H7NO3/c1-8(10)7-9-5-3-2-4-6-9;4-2(1-5)3(6)7/h2-6,8H,7,10H2,1H3;2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyIDGQTIXKPRNNMD-WNQIDUERSA-N
XLogP-0.03
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-hydroxypropanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)
CID 68665630
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
tris(2-aminoacetic acid);1-phenylpropan-2-amine
CID 66730614
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
azane;1-phenylpropan-2-amine
CID 67350534
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine (CID 66730568) is (2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine is CC(N)Cc1ccccc1.N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine?
The InChIKey is IDGQTIXKPRNNMD-WNQIDUERSA-N. The full InChI is InChI=1S/C9H13N.C3H7NO3/c1-8(10)7-9-5-3-2-4-6-9;4-2(1-5)3(6)7/h2-6,8H,7,10H2,1H3;2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine?
(2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine has a molecular weight of 240.30 g/mol, XLogP of -0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine is sourced from PubChem (CID 66730568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).