2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid

C16H28N2O3 — CID 63909372

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
SMILESCCN(CC1CCCO1)CC(NC1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C16H28N2O3/c1-2-18(10-14-4-3-9-21-14)11-16(15(19)20,12-5-6-12)17-13-7-8-13/h12-14,17H,2-11H2,1H3,(H,19,20)
InChIKeyLBAYJVDJKSWTMB-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.47
Rot. Bonds9

About 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid

2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid (PubChem CID 63909372) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
PubChem CID63909372
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
SMILESCCN(CC1CCCO1)CC(NC1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C16H28N2O3/c1-2-18(10-14-4-3-9-21-14)11-16(15(19)20,12-5-6-12)17-13-7-8-13/h12-14,17H,2-11H2,1H3,(H,19,20)
InChIKeyLBAYJVDJKSWTMB-UHFFFAOYSA-N
XLogP1.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propanamide
CID 63909966
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanenitrile
CID 63914205
2-cyclopropyl-3-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64827702
2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide
CID 106495681
3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64826914
N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62429287
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid
CID 63921325
2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 64582510
methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 63055508
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid (CID 63909372) is 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid is CCN(CC1CCCO1)CC(NC1CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid?
The InChIKey is LBAYJVDJKSWTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-18(10-14-4-3-9-21-14)11-16(15(19)20,12-5-6-12)17-13-7-8-13/h12-14,17H,2-11H2,1H3,(H,19,20).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid?
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid has a molecular weight of 296.41 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 63909372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).