[(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid

C30H43N5O6 — CID 69233955

IUPAC[(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid
SMILESCCCC[C@@H](C(O)C(=O)N[C@H](C)c1ccccc1)N(CC1(COc2ccnc(N3CCOCC3)n2)CCC1)C(=O)O
InChIInChI=1S/C30H43N5O6/c1-3-4-11-24(26(36)27(37)32-22(2)23-9-6-5-7-10-23)35(29(38)39)20-30(13-8-14-30)21-41-25-12-15-31-28(33-25)34-16-18-40-19-17-34/h5-7,9-10,12,15,22,24,26,36H,3-4,8,11,13-14,16-21H2,1-2H3,(H,32,37)(H,38,39)/t22-,24+,26?/m1/s1
InChIKeyZHUAGFRYTJULPH-SAUVGFCRSA-N
MW569.70 g/mol
LogP3.64
Rot. Bonds14

About [(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid

[(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid (PubChem CID 69233955) has the molecular formula C30H43N5O6 and a molecular weight of 569.70 g/mol. Its IUPAC name is [(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid.

Molecular Properties

Compound Name[(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid
PubChem CID69233955
Molecular FormulaC30H43N5O6
Molecular Weight569.70 g/mol
Exact Mass569.32
IUPAC Name[(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid
SMILESCCCC[C@@H](C(O)C(=O)N[C@H](C)c1ccccc1)N(CC1(COc2ccnc(N3CCOCC3)n2)CCC1)C(=O)O
InChIInChI=1S/C30H43N5O6/c1-3-4-11-24(26(36)27(37)32-22(2)23-9-6-5-7-10-23)35(29(38)39)20-30(13-8-14-30)21-41-25-12-15-31-28(33-25)34-16-18-40-19-17-34/h5-7,9-10,12,15,22,24,26,36H,3-4,8,11,13-14,16-21H2,1-2H3,(H,32,37)(H,38,39)/t22-,24+,26?/m1/s1
InChIKeyZHUAGFRYTJULPH-SAUVGFCRSA-N
XLogP3.64
TPSA137.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.70
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid?
The IUPAC name of [(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid (CID 69233955) is [(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid.
What is the SMILES notation for [(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid?
The canonical SMILES for [(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid is CCCC[C@@H](C(O)C(=O)N[C@H](C)c1ccccc1)N(CC1(COc2ccnc(N3CCOCC3)n2)CCC1)C(=O)O.
What is the InChIKey of [(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid?
The InChIKey is ZHUAGFRYTJULPH-SAUVGFCRSA-N. The full InChI is InChI=1S/C30H43N5O6/c1-3-4-11-24(26(36)27(37)32-22(2)23-9-6-5-7-10-23)35(29(38)39)20-30(13-8-14-30)21-41-25-12-15-31-28(33-25)34-16-18-40-19-17-34/h5-7,9-10,12,15,22,24,26,36H,3-4,8,11,13-14,16-21H2,1-2H3,(H,32,37)(H,38,39)/t22-,24+,26?/m1/s1.
What are the key properties of [(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid?
[(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid has a molecular weight of 569.70 g/mol, XLogP of 3.64, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]-[[1-[(2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]cyclobutyl]methyl]carbamic acid is sourced from PubChem (CID 69233955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).