3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

C17H34N2O4 — CID 125462480

IUPAC3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESCCN(CC)CCC[C@H](C)N(CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O4/c1-7-18(8-2)12-9-10-14(3)19(13-11-15(20)21)16(22)23-17(4,5)6/h14H,7-13H2,1-6H3,(H,20,21)/t14-/m0/s1
InChIKeyCZMSJTBFVRMHRW-AWEZNQCLSA-N
MW330.47 g/mol
LogP3.21
Rot. Bonds10

About 3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (PubChem CID 125462480) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
PubChem CID125462480
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Name3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESCCN(CC)CCC[C@H](C)N(CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O4/c1-7-18(8-2)12-9-10-14(3)19(13-11-15(20)21)16(22)23-17(4,5)6/h14H,7-13H2,1-6H3,(H,20,21)/t14-/m0/s1
InChIKeyCZMSJTBFVRMHRW-AWEZNQCLSA-N
XLogP3.21
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid with MolForge

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Related Compounds

tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate
CID 94133522
4-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 175466863
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
tert-butyl 4-(diethylamino)butanoate
CID 122660980
butyl-[5-(diethylamino)pentan-2-yl]carbamic acid
CID 57352771
methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoate
CID 141040791
3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 15666718
3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 42656893
tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate
CID 121443463
6-(diethylamino)-4-methylhexanoic acid
CID 79695206
tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate
CID 10355020
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The IUPAC name of 3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (CID 125462480) is 3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is CCN(CC)CCC[C@H](C)N(CCC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The InChIKey is CZMSJTBFVRMHRW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-7-18(8-2)12-9-10-14(3)19(13-11-15(20)21)16(22)23-17(4,5)6/h14H,7-13H2,1-6H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid has a molecular weight of 330.47 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is sourced from PubChem (CID 125462480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).