(2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane

C12H23N3O3 — CID 144964552

IUPAC(2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane
SMILESCC(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C1.CCC
InChIInChI=1S/C9H15N3O3.C3H8/c1-5(11-6(2)13)9(15)12-7-3-8(14)10-4-7;1-3-2/h5,7H,3-4H2,1-2H3,(H,10,14)(H,11,13)(H,12,15);3H2,1-2H3/t5-,7-;/m0./s1
InChIKeyLGZZHTSSXHPZKD-KQBMADMWSA-N
MW257.33 g/mol
LogP-0.07
Rot. Bonds3

About (2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane

(2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane (PubChem CID 144964552) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane
PubChem CID144964552
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name(2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane
SMILESCC(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C1.CCC
InChIInChI=1S/C9H15N3O3.C3H8/c1-5(11-6(2)13)9(15)12-7-3-8(14)10-4-7;1-3-2/h5,7H,3-4H2,1-2H3,(H,10,14)(H,11,13)(H,12,15);3H2,1-2H3/t5-,7-;/m0./s1
InChIKeyLGZZHTSSXHPZKD-KQBMADMWSA-N
XLogP-0.07
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187633
(2R)-2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187627
N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 106187640
4-hydroxy-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106197992
N,N-diethyl-2-[(5-oxopyrrolidin-3-yl)amino]propanamide
CID 106188940
4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156262
2-(methylamino)-N-(6-oxopiperidin-3-yl)propanamide
CID 63663000
3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187621
(2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide
CID 118531993
(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 106192089
2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106189156
2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 106191651

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane?
The IUPAC name of (2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane (CID 144964552) is (2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane.
What is the SMILES notation for (2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane?
The canonical SMILES for (2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane is CC(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C1.CCC.
What is the InChIKey of (2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane?
The InChIKey is LGZZHTSSXHPZKD-KQBMADMWSA-N. The full InChI is InChI=1S/C9H15N3O3.C3H8/c1-5(11-6(2)13)9(15)12-7-3-8(14)10-4-7;1-3-2/h5,7H,3-4H2,1-2H3,(H,10,14)(H,11,13)(H,12,15);3H2,1-2H3/t5-,7-;/m0./s1.
What are the key properties of (2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane?
(2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane has a molecular weight of 257.33 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane is sourced from PubChem (CID 144964552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).