cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C12H21NO4 — CID 159673903

IUPACcyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CC1
InChIInChI=1S/C12H21NO4/c1-5-9(10(14)16-8-6-7-8)13-11(15)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,15)/t9-/m0/s1
InChIKeyBLSZWCIYRCYLKT-VIFPVBQESA-N
MW243.30 g/mol
LogP2.00
Rot. Bonds4

About cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 159673903) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Namecyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID159673903
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namecyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CC1
InChIInChI=1S/C12H21NO4/c1-5-9(10(14)16-8-6-7-8)13-11(15)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,15)/t9-/m0/s1
InChIKeyBLSZWCIYRCYLKT-VIFPVBQESA-N
XLogP2.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate
CID 91201222
cyclopentyl 3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138108432
CID 89270420
CID 89270420
cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 68700756
5-cyclopentyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 68967684
chloro (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 174709718
propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 141391129
oxan-4-yl (2S)-3-(2-hydroxypropan-2-yloxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 170970345
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
CID 162513184
CID 162513184
methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 141391128
tert-butyl (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101268797

Frequently Asked Questions

What is the IUPAC name of cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 159673903) is cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CC1.
What is the InChIKey of cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is BLSZWCIYRCYLKT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21NO4/c1-5-9(10(14)16-8-6-7-8)13-11(15)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,15)/t9-/m0/s1.
What are the key properties of cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 243.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 159673903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).