1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid

C15H19NO4 — CID 5064040

IUPAC1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CC1c1ccccc1
InChIInChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyVMOVYASDUSWBOL-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.52
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 5064040) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID5064040
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CC1c1ccccc1
InChIInChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyVMOVYASDUSWBOL-UHFFFAOYSA-N
XLogP2.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-{[(Tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid
CID 269698
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-
CID 77857
N-(tert-Butoxycarbonyl)-4-fluoro-L-phenylalanine
CID 7020910
Boc-D-phenylalanine
CID 637610
N-alpha-t-Butyloxycarbonyl-L-biphenylalanine (Boc-L-Bip-OH)
CID 2761796
Boc-D-3,3-Diphenylalanine
CID 7019136
rac-(1R,2S)-1-(((tert-butoxy)carbonyl)amino)-2-phenylcyclopropane-1-carboxylic acid
CID 2734148
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-iodophenyl)propanoic acid
CID 2755956
N-Boc-4-Methyl-L-phenylalanine
CID 2761472
(2S)-2-(((tert-butoxy)carbonyl)amino)-4-phenylbutanoic acid
CID 7018726
Boc-2,5-difluoro-D-phenylalanine
CID 11335616
(S)-2-(Boc-amino)-2-phenylpropanoic acid
CID 13678038

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid (CID 5064040) is 1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid is CC(C)(C)OC(=O)NC1(C(=O)O)CC1c1ccccc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is VMOVYASDUSWBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 5064040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).