tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate

C14H31N3O3 — CID 102730361

IUPACtert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate
SMILESCC(CCCO)NC(CN)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H31N3O3/c1-10(7-6-8-18)16-12(9-15)11(2)17-13(19)20-14(3,4)5/h10-12,16,18H,6-9,15H2,1-5H3,(H,17,19)
InChIKeyIIMPRZZUOMJJHP-UHFFFAOYSA-N
MW289.42 g/mol
LogP0.98
Rot. Bonds8

About tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate

tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate (PubChem CID 102730361) has the molecular formula C14H31N3O3 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate
PubChem CID102730361
Molecular FormulaC14H31N3O3
Molecular Weight289.42 g/mol
Exact Mass289.24
IUPAC Nametert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate
SMILESCC(CCCO)NC(CN)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H31N3O3/c1-10(7-6-8-18)16-12(9-15)11(2)17-13(19)20-14(3,4)5/h10-12,16,18H,6-9,15H2,1-5H3,(H,17,19)
InChIKeyIIMPRZZUOMJJHP-UHFFFAOYSA-N
XLogP0.98
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-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-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate
CID 102730417
tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate
CID 102730359
tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate
CID 102729964
tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
CID 85361327
tert-butyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10062769
tert-butyl N-[(2R)-7-aminoheptan-2-yl]carbamate;hydrochloride
CID 167718807
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[4-amino-3-(but-3-enylamino)butan-2-yl]carbamate
CID 102730466
(2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10728329
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl (2R)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 86315819
tert-butyl (2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 10924706

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate (CID 102730361) is tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate is CC(CCCO)NC(CN)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate?
The InChIKey is IIMPRZZUOMJJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3/c1-10(7-6-8-18)16-12(9-15)11(2)17-13(19)20-14(3,4)5/h10-12,16,18H,6-9,15H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate?
tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate has a molecular weight of 289.42 g/mol, XLogP of 0.98, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 102730361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).