sodium;(2S)-2-amino-2-phenylacetic acid;carbanide

C9H12NNaO2 — CID 175955614

IUPACsodium;(2S)-2-amino-2-phenylacetic acid;carbanide
SMILESN[C@H](C(=O)O)c1ccccc1.[CH3-].[Na+]
InChIInChI=1S/C8H9NO2.CH3.Na/c9-7(8(10)11)6-4-2-1-3-5-6;;/h1-5,7H,9H2,(H,10,11);1H3;/q;-1;+1/t7-;;/m0../s1
InChIKeyYWDGJKVXNSTVFD-KLXURFKVSA-N
MW189.19 g/mol
LogP-1.77
Rot. Bonds2

About sodium;(2S)-2-amino-2-phenylacetic acid;carbanide

sodium;(2S)-2-amino-2-phenylacetic acid;carbanide (PubChem CID 175955614) has the molecular formula C9H12NNaO2 and a molecular weight of 189.19 g/mol. Its IUPAC name is sodium;(2S)-2-amino-2-phenylacetic acid;carbanide.

Molecular Properties

Compound Namesodium;(2S)-2-amino-2-phenylacetic acid;carbanide
PubChem CID175955614
Molecular FormulaC9H12NNaO2
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Namesodium;(2S)-2-amino-2-phenylacetic acid;carbanide
SMILESN[C@H](C(=O)O)c1ccccc1.[CH3-].[Na+]
InChIInChI=1S/C8H9NO2.CH3.Na/c9-7(8(10)11)6-4-2-1-3-5-6;;/h1-5,7H,9H2,(H,10,11);1H3;/q;-1;+1/t7-;;/m0../s1
InChIKeyYWDGJKVXNSTVFD-KLXURFKVSA-N
XLogP-1.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
CID 172809734
CID 172809734
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
(2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid
CID 70231185
2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
CID 22326285
2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
CID 67151724
2-amino-2-phenylacetyl chloride;hydron;chloride
CID 51056098
2-amino-2-pyridin-4-ylacetic acid;hydrochloride
CID 42614333
2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid
CID 155934555
2-amino-2-deuterio-2-phenylacetic acid
CID 165358860

Frequently Asked Questions

What is the IUPAC name of sodium;(2S)-2-amino-2-phenylacetic acid;carbanide?
The IUPAC name of sodium;(2S)-2-amino-2-phenylacetic acid;carbanide (CID 175955614) is sodium;(2S)-2-amino-2-phenylacetic acid;carbanide.
What is the SMILES notation for sodium;(2S)-2-amino-2-phenylacetic acid;carbanide?
The canonical SMILES for sodium;(2S)-2-amino-2-phenylacetic acid;carbanide is N[C@H](C(=O)O)c1ccccc1.[CH3-].[Na+].
What is the InChIKey of sodium;(2S)-2-amino-2-phenylacetic acid;carbanide?
The InChIKey is YWDGJKVXNSTVFD-KLXURFKVSA-N. The full InChI is InChI=1S/C8H9NO2.CH3.Na/c9-7(8(10)11)6-4-2-1-3-5-6;;/h1-5,7H,9H2,(H,10,11);1H3;/q;-1;+1/t7-;;/m0../s1.
What are the key properties of sodium;(2S)-2-amino-2-phenylacetic acid;carbanide?
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide has a molecular weight of 189.19 g/mol, XLogP of -1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2S)-2-amino-2-phenylacetic acid;carbanide is sourced from PubChem (CID 175955614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).