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

C16H30N2O4 — CID 155693481

IUPAC2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid
SMILESCC(C(=O)O)N(CCNC(=O)OC(C)(C)C)CC1CCCC1
InChIInChI=1S/C16H30N2O4/c1-12(14(19)20)18(11-13-7-5-6-8-13)10-9-17-15(21)22-16(2,3)4/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeySHXMQGZGHAUPPV-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.48
Rot. Bonds7

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

2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid (PubChem CID 155693481) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid
PubChem CID155693481
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid
SMILESCC(C(=O)O)N(CCNC(=O)OC(C)(C)C)CC1CCCC1
InChIInChI=1S/C16H30N2O4/c1-12(14(19)20)18(11-13-7-5-6-8-13)10-9-17-15(21)22-16(2,3)4/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeySHXMQGZGHAUPPV-UHFFFAOYSA-N
XLogP2.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[hex-3-ynyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid
CID 155120889
tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate
CID 107397726
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate
CID 113056745
cesium;1-carboxyethyl-(cyclopentylmethyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;ethane
CID 155693480
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride
CID 119031291
tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
CID 113052169
(2S)-2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;(2S)-3-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 161176078
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
CID 84728252

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid (CID 155693481) is 2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid is CC(C(=O)O)N(CCNC(=O)OC(C)(C)C)CC1CCCC1.
What is the InChIKey of 2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid?
The InChIKey is SHXMQGZGHAUPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-12(14(19)20)18(11-13-7-5-6-8-13)10-9-17-15(21)22-16(2,3)4/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid?
2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid has a molecular weight of 314.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid is sourced from PubChem (CID 155693481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).