tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate

C19H30N2O4 — CID 118389568

IUPACtert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate
SMILESCCCCC(NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C19H30N2O4/c1-5-6-12-15(21-18(24)25-19(2,3)4)16(22)17(23)20-13-14-10-8-7-9-11-14/h7-11,15-16,22H,5-6,12-13H2,1-4H3,(H,20,23)(H,21,24)/t15?,16-/m0/s1
InChIKeyVUWZLBSHTSVSBQ-LYKKTTPLSA-N
MW350.46 g/mol
LogP2.75
Rot. Bonds8

About tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate

tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate (PubChem CID 118389568) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate
PubChem CID118389568
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Nametert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate
SMILESCCCCC(NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C19H30N2O4/c1-5-6-12-15(21-18(24)25-19(2,3)4)16(22)17(23)20-13-14-10-8-7-9-11-14/h7-11,15-16,22H,5-6,12-13H2,1-4H3,(H,20,23)(H,21,24)/t15?,16-/m0/s1
InChIKeyVUWZLBSHTSVSBQ-LYKKTTPLSA-N
XLogP2.75
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-4-(butylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
CID 69027551
tert-butyl 2-[[2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetyl]amino]-2-phenylacetate
CID 20752683
methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate
CID 21016958
tert-butyl N-[1,3-bis(benzylamino)-1,3-dioxopropan-2-yl]carbamate
CID 18348128
tert-butyl N-[4-(3-chloropropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
CID 141301552
methyl (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoate
CID 139813710
tert-butyl N-[(2R)-1-(benzylamino)-3-[[(2R)-3-(benzylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]carbamate
CID 100964004
tert-butyl N-[1-(benzylamino)-4-(ethoxycarbonylamino)-1-oxobutan-2-yl]carbamate
CID 142973690
tert-butyl N-[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 118389623
tert-butyl N-[1-(octylamino)-1-oxo-4-phenylbutan-2-yl]carbamate
CID 123530299
dibenzyl 2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]propanedioate
CID 139260871
O-methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanethioate
CID 142647876

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate (CID 118389568) is tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate is CCCCC(NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccccc1.
What is the InChIKey of tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate?
The InChIKey is VUWZLBSHTSVSBQ-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-5-6-12-15(21-18(24)25-19(2,3)4)16(22)17(23)20-13-14-10-8-7-9-11-14/h7-11,15-16,22H,5-6,12-13H2,1-4H3,(H,20,23)(H,21,24)/t15?,16-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate?
tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate has a molecular weight of 350.46 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate is sourced from PubChem (CID 118389568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).