[(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid

C21H33N3O4 — CID 69255221

IUPAC[(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid
SMILESCCCCC[C@@]1([C@H](O)C(Cc2ccccc2)NC(=O)O)NC(C(C)C)NC1=O
InChIInChI=1S/C21H33N3O4/c1-4-5-9-12-21(19(26)23-18(24-21)14(2)3)17(25)16(22-20(27)28)13-15-10-7-6-8-11-15/h6-8,10-11,14,16-18,22,24-25H,4-5,9,12-13H2,1-3H3,(H,23,26)(H,27,28)/t16?,17-,18?,21+/m1/s1
InChIKeySDWLOHMTTIYMLM-HTZGDQIUSA-N
MW391.51 g/mol
LogP2.25
Rot. Bonds10

About [(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid

[(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid (PubChem CID 69255221) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is [(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid
PubChem CID69255221
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Name[(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid
SMILESCCCCC[C@@]1([C@H](O)C(Cc2ccccc2)NC(=O)O)NC(C(C)C)NC1=O
InChIInChI=1S/C21H33N3O4/c1-4-5-9-12-21(19(26)23-18(24-21)14(2)3)17(25)16(22-20(27)28)13-15-10-7-6-8-11-15/h6-8,10-11,14,16-18,22,24-25H,4-5,9,12-13H2,1-3H3,(H,23,26)(H,27,28)/t16?,17-,18?,21+/m1/s1
InChIKeySDWLOHMTTIYMLM-HTZGDQIUSA-N
XLogP2.25
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 68981933
ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 91156636
[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid
CID 90717635
[(2S)-1-[[(2S)-4-(butylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 91129368
[(2S)-1-(dimethylamino)-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 167060741
[(2S,3S)-4-ethoxy-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 69072488
[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 20638367
[4-(carboxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 19070976
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
[3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-1-phenylbutan-2-yl]carbamic acid
CID 22593860
[(2S)-1-[[(2S)-4-(cyclobutylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 91034805
[(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea
CID 174398646

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid?
The IUPAC name of [(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid (CID 69255221) is [(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for [(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for [(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid is CCCCC[C@@]1([C@H](O)C(Cc2ccccc2)NC(=O)O)NC(C(C)C)NC1=O.
What is the InChIKey of [(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid?
The InChIKey is SDWLOHMTTIYMLM-HTZGDQIUSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-4-5-9-12-21(19(26)23-18(24-21)14(2)3)17(25)16(22-20(27)28)13-15-10-7-6-8-11-15/h6-8,10-11,14,16-18,22,24-25H,4-5,9,12-13H2,1-3H3,(H,23,26)(H,27,28)/t16?,17-,18?,21+/m1/s1.
What are the key properties of [(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid?
[(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 391.51 g/mol, XLogP of 2.25, 10 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 69255221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).