(3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one

C10H16N4O2 — CID 175803755

IUPAC(3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one
SMILESCC(=[N+]=[N-])C(=O)[C@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)N
InChIInChI=1S/C10H16N4O2/c1-4(9(15)6(3)14-12)8-7(5(2)11)10(16)13-8/h4-5,7-8H,11H2,1-3H3,(H,13,16)/t4-,5-,7-,8-/m1/s1
InChIKeySRPCJEJSQRKJAN-SJNFNFGESA-N
MW224.26 g/mol
LogP-0.66
Rot. Bonds4

About (3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one

(3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one (PubChem CID 175803755) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one
PubChem CID175803755
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one
SMILESCC(=[N+]=[N-])C(=O)[C@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)N
InChIInChI=1S/C10H16N4O2/c1-4(9(15)6(3)14-12)8-7(5(2)11)10(16)13-8/h4-5,7-8H,11H2,1-3H3,(H,13,16)/t4-,5-,7-,8-/m1/s1
InChIKeySRPCJEJSQRKJAN-SJNFNFGESA-N
XLogP-0.66
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one?
The IUPAC name of (3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one (CID 175803755) is (3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one?
The canonical SMILES for (3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one is CC(=[N+]=[N-])C(=O)[C@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)N.
What is the InChIKey of (3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one?
The InChIKey is SRPCJEJSQRKJAN-SJNFNFGESA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4(9(15)6(3)14-12)8-7(5(2)11)10(16)13-8/h4-5,7-8H,11H2,1-3H3,(H,13,16)/t4-,5-,7-,8-/m1/s1.
What are the key properties of (3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one?
(3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one has a molecular weight of 224.26 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one is sourced from PubChem (CID 175803755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).