tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate

C14H27N3O5 — CID 22845505

IUPACtert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate
SMILESCC(C)(C)OC(=O)CC[C@H](N)C(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O5/c1-13(2,3)21-10(18)8-7-9(15)11(19)16-17-12(20)22-14(4,5)6/h9H,7-8,15H2,1-6H3,(H,16,19)(H,17,20)/t9-/m0/s1
InChIKeyAYJOUDJFQJBVDE-VIFPVBQESA-N
MW317.39 g/mol
LogP0.99
Rot. Bonds4

About tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate

tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate (PubChem CID 22845505) has the molecular formula C14H27N3O5 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate
PubChem CID22845505
Molecular FormulaC14H27N3O5
Molecular Weight317.39 g/mol
Exact Mass317.20
IUPAC Nametert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate
SMILESCC(C)(C)OC(=O)CC[C@H](N)C(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O5/c1-13(2,3)21-10(18)8-7-9(15)11(19)16-17-12(20)22-14(4,5)6/h9H,7-8,15H2,1-6H3,(H,16,19)(H,17,20)/t9-/m0/s1
InChIKeyAYJOUDJFQJBVDE-VIFPVBQESA-N
XLogP0.99
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate 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-[(2-amino-3-hydroxypropanoyl)amino]carbamate
CID 130003468
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate
CID 175504926
tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate
CID 53360518
(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-methylbutanoic acid
CID 175962941
methyl (2R)-2-[[(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 170538910
tert-butyl (4R)-4-aminopentanoate
CID 58781983
tert-butyl 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetate
CID 91979596
ditert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 86647571
tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate
CID 67334815
tert-butyl N-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]carbamate
CID 139252847
1-O-benzyl 5-O-tert-butyl 2-aminopentanedioate;hydrochloride
CID 118797500

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate?
The IUPAC name of tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate (CID 22845505) is tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate.
What is the SMILES notation for tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate?
The canonical SMILES for tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate is CC(C)(C)OC(=O)CC[C@H](N)C(=O)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate?
The InChIKey is AYJOUDJFQJBVDE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H27N3O5/c1-13(2,3)21-10(18)8-7-9(15)11(19)16-17-12(20)22-14(4,5)6/h9H,7-8,15H2,1-6H3,(H,16,19)(H,17,20)/t9-/m0/s1.
What are the key properties of tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate?
tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate has a molecular weight of 317.39 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate is sourced from PubChem (CID 22845505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).