(2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide

C8H16N4O2 — CID 59400550

IUPAC(2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide
SMILESCC[C@H](C(N)=O)N1NC(CN)CC1=O
InChIInChI=1S/C8H16N4O2/c1-2-6(8(10)14)12-7(13)3-5(4-9)11-12/h5-6,11H,2-4,9H2,1H3,(H2,10,14)/t5?,6-/m1/s1
InChIKeyFXHRWAJIBLNHLW-PRJDIBJQSA-N
MW200.24 g/mol
LogP-1.69
Rot. Bonds4

About (2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide

(2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide (PubChem CID 59400550) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide
PubChem CID59400550
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name(2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide
SMILESCC[C@H](C(N)=O)N1NC(CN)CC1=O
InChIInChI=1S/C8H16N4O2/c1-2-6(8(10)14)12-7(13)3-5(4-9)11-12/h5-6,11H,2-4,9H2,1H3,(H2,10,14)/t5?,6-/m1/s1
InChIKeyFXHRWAJIBLNHLW-PRJDIBJQSA-N
XLogP-1.69
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide
CID 11148119
(S)-2-amino-3,3-dimethyl-1-(pyrazolidin-1-yl)butan-1-one
CID 44433956
1,3-Diaminopyrrolidin-2-one
CID 20551973
2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide
CID 130909256
2-(5-methyl-3-oxopyrazolidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 24248793
2-[acetyl-(2-oxopyrrolidin-1-yl)amino]-N-propan-2-ylacetamide
CID 21311653
2-[Acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide
CID 21311663
1-(Methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione
CID 59042133
1-Propan-2-yl-3-(2-propan-2-ylhydrazinyl)pyrrolidine-2,5-dione
CID 60014513
(2S)-2-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]butanamide
CID 60105806
(3S)-3-amino-4-[amino(ethyl)amino]-4-oxo-N-piperazin-1-ylbutanamide
CID 67234908
(4S)-4-amino-5-oxo-5-pyrazolidin-1-ylpentanamide
CID 69565946

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide?
The IUPAC name of (2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide (CID 59400550) is (2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide.
What is the SMILES notation for (2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide?
The canonical SMILES for (2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide is CC[C@H](C(N)=O)N1NC(CN)CC1=O.
What is the InChIKey of (2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide?
The InChIKey is FXHRWAJIBLNHLW-PRJDIBJQSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-2-6(8(10)14)12-7(13)3-5(4-9)11-12/h5-6,11H,2-4,9H2,1H3,(H2,10,14)/t5?,6-/m1/s1.
What are the key properties of (2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide?
(2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide has a molecular weight of 200.24 g/mol, XLogP of -1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide is sourced from PubChem (CID 59400550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).