(2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide

C18H33N5O4 — CID 167012890

IUPAC(2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](NCC(N)=O)C1=O
InChIInChI=1S/C18H33N5O4/c1-13(2)22(7-6-21-8-10-27-11-9-21)17(25)14(3)23-5-4-15(18(23)26)20-12-16(19)24/h13-15,20H,4-12H2,1-3H3,(H2,19,24)/t14-,15-/m0/s1
InChIKeyCIBHVLKETZIXOQ-GJZGRUSLSA-N
MW383.49 g/mol
LogP-1.38
Rot. Bonds9

About (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide

(2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide (PubChem CID 167012890) has the molecular formula C18H33N5O4 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide
PubChem CID167012890
Molecular FormulaC18H33N5O4
Molecular Weight383.49 g/mol
Exact Mass383.25
IUPAC Name(2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](NCC(N)=O)C1=O
InChIInChI=1S/C18H33N5O4/c1-13(2)22(7-6-21-8-10-27-11-9-21)17(25)14(3)23-5-4-15(18(23)26)20-12-16(19)24/h13-15,20H,4-12H2,1-3H3,(H2,19,24)/t14-,15-/m0/s1
InChIKeyCIBHVLKETZIXOQ-GJZGRUSLSA-N
XLogP-1.38
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide (CID 167012890) is (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide is CC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](NCC(N)=O)C1=O.
What is the InChIKey of (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide?
The InChIKey is CIBHVLKETZIXOQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H33N5O4/c1-13(2)22(7-6-21-8-10-27-11-9-21)17(25)14(3)23-5-4-15(18(23)26)20-12-16(19)24/h13-15,20H,4-12H2,1-3H3,(H2,19,24)/t14-,15-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide?
(2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide has a molecular weight of 383.49 g/mol, XLogP of -1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)amino]-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 167012890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).