2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid

C16H24N2O3 — CID 63927354

IUPAC2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid
SMILESCC(C)CCC(C)NC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(2)9-10-12(3)17-16(21)18-14(15(19)20)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyCGLYDNMJCRJFRM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.94
Rot. Bonds7

About 2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid

2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid (PubChem CID 63927354) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid
PubChem CID63927354
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid
SMILESCC(C)CCC(C)NC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(2)9-10-12(3)17-16(21)18-14(15(19)20)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyCGLYDNMJCRJFRM-UHFFFAOYSA-N
XLogP2.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(pentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 113363099
1-(5-methylhexan-2-yl)-3-(1-phenylethyl)urea
CID 78834581
2-(5-methylhexan-2-ylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285557
(2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 103998243
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535
(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61465982
2-amino-N-(5-methylhexan-2-yl)-2-phenylacetamide
CID 43579340
(2S)-2-(2-methylbutylcarbamoylamino)-2-phenylacetic acid
CID 104899033
(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide
CID 95320744
(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid
CID 14671446
2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61187307
(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid
CID 61144889

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid?
The IUPAC name of 2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid (CID 63927354) is 2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid is CC(C)CCC(C)NC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid?
The InChIKey is CGLYDNMJCRJFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)9-10-12(3)17-16(21)18-14(15(19)20)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid?
2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 63927354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).