[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate

C18H34N2O4 — CID 167319423

IUPAC[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate
SMILESCC[C@H](COC(=O)[C@H](C)NCC1CCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O4/c1-6-15(20-17(22)24-18(3,4)5)12-23-16(21)13(2)19-11-14-9-7-8-10-14/h13-15,19H,6-12H2,1-5H3,(H,20,22)/t13-,15+/m0/s1
InChIKeyYCUSNDYDBPFCCC-DZGCQCFKSA-N
MW342.48 g/mol
LogP3.00
Rot. Bonds8

About [(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate

[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate (PubChem CID 167319423) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is [(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate.

Molecular Properties

Compound Name[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate
PubChem CID167319423
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Name[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate
SMILESCC[C@H](COC(=O)[C@H](C)NCC1CCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O4/c1-6-15(20-17(22)24-18(3,4)5)12-23-16(21)13(2)19-11-14-9-7-8-10-14/h13-15,19H,6-12H2,1-5H3,(H,20,22)/t13-,15+/m0/s1
InChIKeyYCUSNDYDBPFCCC-DZGCQCFKSA-N
XLogP3.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate?
The IUPAC name of [(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate (CID 167319423) is [(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate.
What is the SMILES notation for [(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate?
The canonical SMILES for [(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate is CC[C@H](COC(=O)[C@H](C)NCC1CCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of [(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate?
The InChIKey is YCUSNDYDBPFCCC-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-6-15(20-17(22)24-18(3,4)5)12-23-16(21)13(2)19-11-14-9-7-8-10-14/h13-15,19H,6-12H2,1-5H3,(H,20,22)/t13-,15+/m0/s1.
What are the key properties of [(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate?
[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate has a molecular weight of 342.48 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate is sourced from PubChem (CID 167319423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).