3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride

C9H19ClN4O2 — CID 119905056

IUPAC3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
SMILESCNC(=O)NC(=O)CCN1CC[C@@H](N)C1.Cl
InChIInChI=1S/C9H18N4O2.ClH/c1-11-9(15)12-8(14)3-5-13-4-2-7(10)6-13;/h7H,2-6,10H2,1H3,(H2,11,12,14,15);1H/t7-;/m1./s1
InChIKeyHRIDXJRMAVAOQF-OGFXRTJISA-N
MW250.73 g/mol
LogP-0.71
Rot. Bonds3

About 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride

3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride (PubChem CID 119905056) has the molecular formula C9H19ClN4O2 and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
PubChem CID119905056
Molecular FormulaC9H19ClN4O2
Molecular Weight250.73 g/mol
Exact Mass250.12
IUPAC Name3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
SMILESCNC(=O)NC(=O)CCN1CC[C@@H](N)C1.Cl
InChIInChI=1S/C9H18N4O2.ClH/c1-11-9(15)12-8(14)3-5-13-4-2-7(10)6-13;/h7H,2-6,10H2,1H3,(H2,11,12,14,15);1H/t7-;/m1./s1
InChIKeyHRIDXJRMAVAOQF-OGFXRTJISA-N
XLogP-0.71
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 55216877
2-(3-aminopiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 61296110
1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid
CID 43440872
methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate
CID 60728436
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 51728561
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119905235
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 80553182
3-(4-aminopiperidin-1-yl)propanehydrazide
CID 63577535
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119922349
2-(4-amino-3-ethylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 81460476
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 112630035

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride?
The IUPAC name of 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride (CID 119905056) is 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride?
The canonical SMILES for 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride is CNC(=O)NC(=O)CCN1CC[C@@H](N)C1.Cl.
What is the InChIKey of 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride?
The InChIKey is HRIDXJRMAVAOQF-OGFXRTJISA-N. The full InChI is InChI=1S/C9H18N4O2.ClH/c1-11-9(15)12-8(14)3-5-13-4-2-7(10)6-13;/h7H,2-6,10H2,1H3,(H2,11,12,14,15);1H/t7-;/m1./s1.
What are the key properties of 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride?
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride is sourced from PubChem (CID 119905056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).