4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate

C17H34N2O4 — CID 149070082

IUPAC4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate
SMILESCC(C)NC(C)C(=O)OCCCC(C)N[C@@H](C)C(=O)OC(C)C
InChIInChI=1S/C17H34N2O4/c1-11(2)18-14(6)16(20)22-10-8-9-13(5)19-15(7)17(21)23-12(3)4/h11-15,18-19H,8-10H2,1-7H3/t13?,14?,15-/m0/s1
InChIKeyQNPPLGGFYHIADL-NRXISQOPSA-N
MW330.47 g/mol
LogP2.01
Rot. Bonds11

About 4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate

4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate (PubChem CID 149070082) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Name4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate
PubChem CID149070082
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Name4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate
SMILESCC(C)NC(C)C(=O)OCCCC(C)N[C@@H](C)C(=O)OC(C)C
InChIInChI=1S/C17H34N2O4/c1-11(2)18-14(6)16(20)22-10-8-9-13(5)19-15(7)17(21)23-12(3)4/h11-15,18-19H,8-10H2,1-7H3/t13?,14?,15-/m0/s1
InChIKeyQNPPLGGFYHIADL-NRXISQOPSA-N
XLogP2.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate with MolForge

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Related Compounds

ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate
CID 101067350
propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
CID 140961196
(2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate
CID 140739892
propan-2-yl (2S)-2-(ethylamino)propanoate
CID 134571850
propan-2-yl 5-oxo-2-(propan-2-ylamino)hexanoate
CID 161057043
1-O-butyl 8-O-propan-2-yl 2,7-dimethyloctanedioate
CID 173163104
propan-2-yl (2S)-2-(iodoamino)propanoate
CID 122534209
bis(4-methylpentyl) oxalate
CID 6420411
ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate
CID 115639047
5-(propan-2-ylamino)hexanoic acid
CID 82848277
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate?
The IUPAC name of 4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate (CID 149070082) is 4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate.
What is the SMILES notation for 4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate?
The canonical SMILES for 4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate is CC(C)NC(C)C(=O)OCCCC(C)N[C@@H](C)C(=O)OC(C)C.
What is the InChIKey of 4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate?
The InChIKey is QNPPLGGFYHIADL-NRXISQOPSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-11(2)18-14(6)16(20)22-10-8-9-13(5)19-15(7)17(21)23-12(3)4/h11-15,18-19H,8-10H2,1-7H3/t13?,14?,15-/m0/s1.
What are the key properties of 4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate?
4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate has a molecular weight of 330.47 g/mol, XLogP of 2.01, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 149070082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).