(2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide

C7H14N4O2 — CID 166466453

IUPAC(2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide
SMILESCN1C[C@@H](C[C@H](N)C(N)=O)C(=O)N1
InChIInChI=1S/C7H14N4O2/c1-11-3-4(7(13)10-11)2-5(8)6(9)12/h4-5H,2-3,8H2,1H3,(H2,9,12)(H,10,13)/t4-,5+/m1/s1
InChIKeyKXSDPAMCOYLOJS-UHNVWZDZSA-N
MW186.22 g/mol
LogP-2.22
Rot. Bonds3

About (2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide

(2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide (PubChem CID 166466453) has the molecular formula C7H14N4O2 and a molecular weight of 186.22 g/mol. Its IUPAC name is (2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide
PubChem CID166466453
Molecular FormulaC7H14N4O2
Molecular Weight186.22 g/mol
Exact Mass186.11
IUPAC Name(2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide
SMILESCN1C[C@@H](C[C@H](N)C(N)=O)C(=O)N1
InChIInChI=1S/C7H14N4O2/c1-11-3-4(7(13)10-11)2-5(8)6(9)12/h4-5H,2-3,8H2,1H3,(H2,9,12)(H,10,13)/t4-,5+/m1/s1
InChIKeyKXSDPAMCOYLOJS-UHNVWZDZSA-N
XLogP-2.22
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide (CID 166466453) is (2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide is CN1C[C@@H](C[C@H](N)C(N)=O)C(=O)N1.
What is the InChIKey of (2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide?
The InChIKey is KXSDPAMCOYLOJS-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-11-3-4(7(13)10-11)2-5(8)6(9)12/h4-5H,2-3,8H2,1H3,(H2,9,12)(H,10,13)/t4-,5+/m1/s1.
What are the key properties of (2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide?
(2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide has a molecular weight of 186.22 g/mol, XLogP of -2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide is sourced from PubChem (CID 166466453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).