N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide

C21H35N5O4 — CID 23737210

IUPACN-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
SMILESNCCNC(=O)C1CC(N(CCN2CCOCC2)C(=O)C2CC2)CN1C(=O)C1CC1
InChIInChI=1S/C21H35N5O4/c22-5-6-23-19(27)18-13-17(14-26(18)21(29)16-3-4-16)25(20(28)15-1-2-15)8-7-24-9-11-30-12-10-24/h15-18H,1-14,22H2,(H,23,27)
InChIKeyORQCNRLOSSBRKZ-UHFFFAOYSA-N
MW421.54 g/mol
LogP-0.99
Rot. Bonds9

About N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide

N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide (PubChem CID 23737210) has the molecular formula C21H35N5O4 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
PubChem CID23737210
Molecular FormulaC21H35N5O4
Molecular Weight421.54 g/mol
Exact Mass421.27
IUPAC NameN-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
SMILESNCCNC(=O)C1CC(N(CCN2CCOCC2)C(=O)C2CC2)CN1C(=O)C1CC1
InChIInChI=1S/C21H35N5O4/c22-5-6-23-19(27)18-13-17(14-26(18)21(29)16-3-4-16)25(20(28)15-1-2-15)8-7-24-9-11-30-12-10-24/h15-18H,1-14,22H2,(H,23,27)
InChIKeyORQCNRLOSSBRKZ-UHFFFAOYSA-N
XLogP-0.99
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
CID 75411467
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CID 75529695
N-cyclopropyl-2-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 47075935
(2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide
CID 56707334
4-[(N-acetylprolyl)leucyl]morpholine
CID 145997598
5-[4-(2-Morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 19900365
5-[4-(2-Morpholin-4-ylacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 19900367
[(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 58006996
2-[[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide
CID 90965273
2-amino-2-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
CID 154455866
2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride
CID 164909557
(2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide
CID 167012890

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide (CID 23737210) is N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide is NCCNC(=O)C1CC(N(CCN2CCOCC2)C(=O)C2CC2)CN1C(=O)C1CC1.
What is the InChIKey of N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is ORQCNRLOSSBRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O4/c22-5-6-23-19(27)18-13-17(14-26(18)21(29)16-3-4-16)25(20(28)15-1-2-15)8-7-24-9-11-30-12-10-24/h15-18H,1-14,22H2,(H,23,27).
What are the key properties of N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide?
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 421.54 g/mol, XLogP of -0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23737210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).