1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride

C12H24ClN3O2 — CID 120653066

IUPAC1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1CCCN1C(C)=O.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-4-13-9(2)8-14-12(17)11-6-5-7-15(11)10(3)16;/h9,11,13H,4-8H2,1-3H3,(H,14,17);1H/t9-,11?;/m1./s1
InChIKeyYWHMPTKMFTULEO-INDIWFAOSA-N
MW277.80 g/mol
LogP0.53
Rot. Bonds5

About 1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride

1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120653066) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120653066
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC Name1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1CCCN1C(C)=O.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-4-13-9(2)8-14-12(17)11-6-5-7-15(11)10(3)16;/h9,11,13H,4-8H2,1-3H3,(H,14,17);1H/t9-,11?;/m1./s1
InChIKeyYWHMPTKMFTULEO-INDIWFAOSA-N
XLogP0.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide
CID 120654985
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119504514
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515
N-[(2R)-2-(ethylamino)propyl]-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120654300
1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 163643584
N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 120653330
1-(cyclopropanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120654768
(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide
CID 14282316
1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120652440
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
(2S)-1-acetyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 89096348
(2S)-1-[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 46182782

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride (CID 120653066) is 1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)C1CCCN1C(C)=O.Cl.
What is the InChIKey of 1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YWHMPTKMFTULEO-INDIWFAOSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-4-13-9(2)8-14-12(17)11-6-5-7-15(11)10(3)16;/h9,11,13H,4-8H2,1-3H3,(H,14,17);1H/t9-,11?;/m1./s1.
What are the key properties of 1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride?
1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120653066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).