N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide

C12H23N3O3 — CID 167455793

IUPACN-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N[C@H](CO)C[C@@H]1CCNC1=O
InChIInChI=1S/C12H23N3O3/c1-8(2)14-6-11(17)15-10(7-16)5-9-3-4-13-12(9)18/h8-10,14,16H,3-7H2,1-2H3,(H,13,18)(H,15,17)/t9-,10-/m0/s1
InChIKeyCOMFFJRVJFNMLP-UWVGGRQHSA-N
MW257.33 g/mol
LogP-1.01
Rot. Bonds7

About N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide

N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide (PubChem CID 167455793) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide
PubChem CID167455793
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N[C@H](CO)C[C@@H]1CCNC1=O
InChIInChI=1S/C12H23N3O3/c1-8(2)14-6-11(17)15-10(7-16)5-9-3-4-13-12(9)18/h8-10,14,16H,3-7H2,1-2H3,(H,13,18)(H,15,17)/t9-,10-/m0/s1
InChIKeyCOMFFJRVJFNMLP-UWVGGRQHSA-N
XLogP-1.01
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one
CID 58593524
(2S)-2-amino-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-4-methylpentanamide
CID 155375812
(3R)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one
CID 170365434
3-[2-(oxidoamino)propyl]pyrrolidin-2-one
CID 176958706
(3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride
CID 134306097
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide
CID 167482163
[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid
CID 155369588
(3-methyl-1-phenylbutan-2-yl) N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 156883711
[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-(1,1-difluoro-3-methylbutan-2-yl)carbamate
CID 167455372
(2S)-3-cyclopropyl-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 171049079
benzyl N-[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 155804576

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide (CID 167455793) is N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)N[C@H](CO)C[C@@H]1CCNC1=O.
What is the InChIKey of N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide?
The InChIKey is COMFFJRVJFNMLP-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(2)14-6-11(17)15-10(7-16)5-9-3-4-13-12(9)18/h8-10,14,16H,3-7H2,1-2H3,(H,13,18)(H,15,17)/t9-,10-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide?
N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide has a molecular weight of 257.33 g/mol, XLogP of -1.01, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 167455793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).