tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate

C18H35N3O5 — CID 162418695

IUPACtert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate
SMILESCC(C)(C)OC(=O)[C@H](CCCCO)NC(=O)[C@@H](N)CCN1CCOCC1
InChIInChI=1S/C18H35N3O5/c1-18(2,3)26-17(24)15(6-4-5-11-22)20-16(23)14(19)7-8-21-9-12-25-13-10-21/h14-15,22H,4-13,19H2,1-3H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyZALCITWBXDKFLE-GJZGRUSLSA-N
MW373.49 g/mol
LogP0.03
Rot. Bonds10

About tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate

tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate (PubChem CID 162418695) has the molecular formula C18H35N3O5 and a molecular weight of 373.49 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate
PubChem CID162418695
Molecular FormulaC18H35N3O5
Molecular Weight373.49 g/mol
Exact Mass373.26
IUPAC Nametert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate
SMILESCC(C)(C)OC(=O)[C@H](CCCCO)NC(=O)[C@@H](N)CCN1CCOCC1
InChIInChI=1S/C18H35N3O5/c1-18(2,3)26-17(24)15(6-4-5-11-22)20-16(23)14(19)7-8-21-9-12-25-13-10-21/h14-15,22H,4-13,19H2,1-3H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyZALCITWBXDKFLE-GJZGRUSLSA-N
XLogP0.03
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate 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 tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate?
The IUPAC name of tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate (CID 162418695) is tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate.
What is the SMILES notation for tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate?
The canonical SMILES for tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate is CC(C)(C)OC(=O)[C@H](CCCCO)NC(=O)[C@@H](N)CCN1CCOCC1.
What is the InChIKey of tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate?
The InChIKey is ZALCITWBXDKFLE-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H35N3O5/c1-18(2,3)26-17(24)15(6-4-5-11-22)20-16(23)14(19)7-8-21-9-12-25-13-10-21/h14-15,22H,4-13,19H2,1-3H3,(H,20,23)/t14-,15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate?
tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate has a molecular weight of 373.49 g/mol, XLogP of 0.03, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate is sourced from PubChem (CID 162418695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).