2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid

C16H24N2O3 — CID 65292247

IUPAC2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid
SMILESCC(C)(CCN)CCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,10-11-17)9-8-13(19)18-14(15(20)21)12-6-4-3-5-7-12/h3-7,14H,8-11,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyBNMFXWOJBCNZMT-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.08
Rot. Bonds8

About 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid

2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid (PubChem CID 65292247) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid
PubChem CID65292247
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid
SMILESCC(C)(CCN)CCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,10-11-17)9-8-13(19)18-14(15(20)21)12-6-4-3-5-7-12/h3-7,14H,8-11,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyBNMFXWOJBCNZMT-UHFFFAOYSA-N
XLogP2.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
(2S)-2-[(6,6-dimethyl-5-oxoheptanoyl)amino]-2-phenylacetic acid
CID 166385936
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
CID 70535754
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
CID 79256949
6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide
CID 65291089
(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid
CID 65291208
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 108808775
(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid
CID 119367976
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
2-(3-methylsulfanylpropanoylamino)-2-phenylacetic acid
CID 43183450

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid (CID 65292247) is 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid is CC(C)(CCN)CCC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid?
The InChIKey is BNMFXWOJBCNZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,10-11-17)9-8-13(19)18-14(15(20)21)12-6-4-3-5-7-12/h3-7,14H,8-11,17H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid?
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 65292247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).