cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate

C15H26N2O5 — CID 91201222

IUPACcyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate
SMILESCCC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)OC1CC1
InChIInChI=1S/C15H26N2O5/c1-6-11(17-14(20)22-15(3,4)5)12(18)16-9(2)13(19)21-10-7-8-10/h9-11H,6-8H2,1-5H3,(H,16,18)(H,17,20)
InChIKeyWITXZVVNDVHBDN-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.50
Rot. Bonds6

About cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate

cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate (PubChem CID 91201222) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate.

Molecular Properties

Compound Namecyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate
PubChem CID91201222
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Namecyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate
SMILESCCC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)OC1CC1
InChIInChI=1S/C15H26N2O5/c1-6-11(17-14(20)22-15(3,4)5)12(18)16-9(2)13(19)21-10-7-8-10/h9-11H,6-8H2,1-5H3,(H,16,18)(H,17,20)
InChIKeyWITXZVVNDVHBDN-UHFFFAOYSA-N
XLogP1.50
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 159673903
methyl (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate
CID 86588879
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
cyclopentyl 3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138108432
tert-butyl N-[(2S)-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]carbamate
CID 58935373
ethyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]amino]propanoate
CID 54393368
cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 68700756
4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 146381923
[(3S)-1-methylpyrrolidin-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 156835543
CID 89270420
CID 89270420
5-cyclopentyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 68967684
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate?
The IUPAC name of cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate (CID 91201222) is cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate.
What is the SMILES notation for cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate?
The canonical SMILES for cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate is CCC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)OC1CC1.
What is the InChIKey of cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate?
The InChIKey is WITXZVVNDVHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-6-11(17-14(20)22-15(3,4)5)12(18)16-9(2)13(19)21-10-7-8-10/h9-11H,6-8H2,1-5H3,(H,16,18)(H,17,20).
What are the key properties of cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate?
cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate has a molecular weight of 314.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate is sourced from PubChem (CID 91201222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).