2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid

C15H28N2O4 — CID 107244084

IUPAC2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid
SMILESCC(NC1CCCCCC1NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-10(13(18)19)16-11-8-6-5-7-9-12(11)17-14(20)21-15(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyWQHZOMOMNMNOMK-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.28
Rot. Bonds4

About 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid

2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid (PubChem CID 107244084) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid
PubChem CID107244084
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid
SMILESCC(NC1CCCCCC1NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-10(13(18)19)16-11-8-6-5-7-9-12(11)17-14(20)21-15(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyWQHZOMOMNMNOMK-UHFFFAOYSA-N
XLogP2.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 333461
N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-L-alanine
CID 6992569
(R)-3-acetamido-2-(tert-butoxycarbonylamino)propanoic acid
CID 45270113
N-[N-Boc-D-alaninyl]-D-alanine
CID 86308274
2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 15930646
2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]hexadecylamino]acetic acid
CID 44322415
2-[Carboxymethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexadecyl]amino]acetic acid
CID 44322471
N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]glycine
CID 120046
(2R)-2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)pentanoic acid
CID 138991037
N-(tert-Butoxycarbonyl)-L-alanyl-L-alanyl-L-alanine
CID 14655139
tert-Butyloxycarbonyl-alanyl-glycine
CID 192413
tert-Butyloxycarbonyl-lysyl-alanyl-alanine
CID 5487156

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid (CID 107244084) is 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid is CC(NC1CCCCCC1NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid?
The InChIKey is WQHZOMOMNMNOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10(13(18)19)16-11-8-6-5-7-9-12(11)17-14(20)21-15(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid?
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid is sourced from PubChem (CID 107244084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).