(2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide

C18H24N4O3 — CID 56713745

IUPAC(2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCN1Cc2ccccc2C1=O
InChIInChI=1S/C18H24N4O3/c1-2-20-17(24)15-9-13(19)11-22(15)16(23)7-8-21-10-12-5-3-4-6-14(12)18(21)25/h3-6,13,15H,2,7-11,19H2,1H3,(H,20,24)/t13-,15-/m0/s1
InChIKeyTUSLATMJPLILGB-ZFWWWQNUSA-N
MW344.42 g/mol
LogP0.10
Rot. Bonds5

About (2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 56713745) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide
PubChem CID56713745
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCN1Cc2ccccc2C1=O
InChIInChI=1S/C18H24N4O3/c1-2-20-17(24)15-9-13(19)11-22(15)16(23)7-8-21-10-12-5-3-4-6-14(12)18(21)25/h3-6,13,15H,2,7-11,19H2,1H3,(H,20,24)/t13-,15-/m0/s1
InChIKeyTUSLATMJPLILGB-ZFWWWQNUSA-N
XLogP0.10
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide (CID 56713745) is (2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCN1Cc2ccccc2C1=O.
What is the InChIKey of (2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is TUSLATMJPLILGB-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-20-17(24)15-9-13(19)11-22(15)16(23)7-8-21-10-12-5-3-4-6-14(12)18(21)25/h3-6,13,15H,2,7-11,19H2,1H3,(H,20,24)/t13-,15-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56713745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).