(2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide

C14H29N3O3 — CID 120801306

IUPAC(2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide
SMILESCCOC(CCN(C)C)CNC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C14H29N3O3/c1-4-19-12(7-8-17(2)3)10-16-14(18)13-6-5-11(9-15)20-13/h11-13H,4-10,15H2,1-3H3,(H,16,18)/t11-,12?,13+/m1/s1
InChIKeyFSXVLIRGNFVGKN-YPHAAILGSA-N
MW287.40 g/mol
LogP-0.03
Rot. Bonds9

About (2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide (PubChem CID 120801306) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide
PubChem CID120801306
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide
SMILESCCOC(CCN(C)C)CNC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C14H29N3O3/c1-4-19-12(7-8-17(2)3)10-16-14(18)13-6-5-11(9-15)20-13/h11-13H,4-10,15H2,1-3H3,(H,16,18)/t11-,12?,13+/m1/s1
InChIKeyFSXVLIRGNFVGKN-YPHAAILGSA-N
XLogP-0.03
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide
CID 115406853
(2S,5R)-5-(aminomethyl)-N-[3-(diethylamino)propyl]oxolane-2-carboxamide
CID 120796832
(2S,5R)-5-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120799727
(2S,5R)-5-(aminomethyl)-N-[3-(dipropylamino)propyl]oxolane-2-carboxamide
CID 120798880
N-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride
CID 119897013
5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide
CID 115325352
(2S,5R)-5-(aminomethyl)-N-[2-(diethylamino)-4-methylpentyl]oxolane-2-carboxamide;dihydrochloride
CID 120797665
(2S,5R)-5-(aminomethyl)-N-(3-butoxypropyl)oxolane-2-carboxamide
CID 120783198
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate
CID 120787676
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798751
(2S,5R)-5-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide;hydrochloride
CID 120793983
(2S,5R)-5-(aminomethyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-2-carboxamide;hydrochloride
CID 120789211

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide (CID 120801306) is (2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide is CCOC(CCN(C)C)CNC(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide?
The InChIKey is FSXVLIRGNFVGKN-YPHAAILGSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-4-19-12(7-8-17(2)3)10-16-14(18)13-6-5-11(9-15)20-13/h11-13H,4-10,15H2,1-3H3,(H,16,18)/t11-,12?,13+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide has a molecular weight of 287.40 g/mol, XLogP of -0.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide is sourced from PubChem (CID 120801306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).