2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide

C10H20N4O2 — CID 112630191

IUPAC2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide
SMILESCC(N)C1CCN(C(C)C(=O)NC(N)=O)C1
InChIInChI=1S/C10H20N4O2/c1-6(11)8-3-4-14(5-8)7(2)9(15)13-10(12)16/h6-8H,3-5,11H2,1-2H3,(H3,12,13,15,16)
InChIKeyULJIVUJAUSOSNR-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.76
Rot. Bonds3

About 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide (PubChem CID 112630191) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide
PubChem CID112630191
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide
SMILESCC(N)C1CCN(C(C)C(=O)NC(N)=O)C1
InChIInChI=1S/C10H20N4O2/c1-6(11)8-3-4-14(5-8)7(2)9(15)13-10(12)16/h6-8H,3-5,11H2,1-2H3,(H3,12,13,15,16)
InChIKeyULJIVUJAUSOSNR-UHFFFAOYSA-N
XLogP-0.76
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 112630269
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 112630167
N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55256660
2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride
CID 119925653
2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide
CID 55258736
N-carbamoyl-2-[4-(ethylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119928173
ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81360759
(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 26598322
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutyl)propanamide
CID 55258927
(2R)-N-carbamoyl-2-[(2S)-2-ethylmorpholin-4-yl]propanamide
CID 98752361
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444435
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-carbamoylpropanamide
CID 120776742

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide?
The IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide (CID 112630191) is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide?
The canonical SMILES for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide is CC(N)C1CCN(C(C)C(=O)NC(N)=O)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide?
The InChIKey is ULJIVUJAUSOSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-6(11)8-3-4-14(5-8)7(2)9(15)13-10(12)16/h6-8H,3-5,11H2,1-2H3,(H3,12,13,15,16).
What are the key properties of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide?
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide has a molecular weight of 228.30 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide is sourced from PubChem (CID 112630191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).