(2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid

C17H20N2O4 — CID 70231185

IUPAC(2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid
SMILESCN(CC(=O)O)c1ccccc1.N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C9H11NO2.C8H9NO2/c1-10(7-9(11)12)8-5-3-2-4-6-8;9-7(8(10)11)6-4-2-1-3-5-6/h2-6H,7H2,1H3,(H,11,12);1-5,7H,9H2,(H,10,11)/t;7-/m.1/s1
InChIKeyJHLAFBXJPSQXHP-HMZWWLAASA-N
MW316.36 g/mol
LogP1.98
Rot. Bonds5

About (2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid

(2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid (PubChem CID 70231185) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid
PubChem CID70231185
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid
SMILESCN(CC(=O)O)c1ccccc1.N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C9H11NO2.C8H9NO2/c1-10(7-9(11)12)8-5-3-2-4-6-8;9-7(8(10)11)6-4-2-1-3-5-6/h2-6H,7H2,1H3,(H,11,12);1-5,7H,9H2,(H,10,11)/t;7-/m.1/s1
InChIKeyJHLAFBXJPSQXHP-HMZWWLAASA-N
XLogP1.98
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 172809734
CID 172809734
bis(2-[N-methyl-4-(3-phenylbutan-2-yl)anilino]acetic acid);nickel
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2-(N-methyl-4-propan-2-ylanilino)acetic acid
CID 82113002
(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid
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(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
(2R)-2-methyl-3-(N-methylanilino)propanoic acid
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(2S)-2-methyl-3-(N-methylanilino)propanoic acid
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2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid?
The IUPAC name of (2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid (CID 70231185) is (2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid?
The canonical SMILES for (2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid is CN(CC(=O)O)c1ccccc1.N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid?
The InChIKey is JHLAFBXJPSQXHP-HMZWWLAASA-N. The full InChI is InChI=1S/C9H11NO2.C8H9NO2/c1-10(7-9(11)12)8-5-3-2-4-6-8;9-7(8(10)11)6-4-2-1-3-5-6/h2-6H,7H2,1H3,(H,11,12);1-5,7H,9H2,(H,10,11)/t;7-/m.1/s1.
What are the key properties of (2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid?
(2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid has a molecular weight of 316.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid is sourced from PubChem (CID 70231185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).