4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide

C12H27N3O2 — CID 83177401

IUPAC4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide
SMILESCC(CCO)NC(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H27N3O2/c1-9(5-6-16)14-10(8-13)7-11(17)15-12(2,3)4/h9-10,14,16H,5-8,13H2,1-4H3,(H,15,17)
InChIKeyWCPCGHBAEJDEHE-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.02
Rot. Bonds7

About 4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide

4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide (PubChem CID 83177401) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide
PubChem CID83177401
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide
SMILESCC(CCO)NC(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H27N3O2/c1-9(5-6-16)14-10(8-13)7-11(17)15-12(2,3)4/h9-10,14,16H,5-8,13H2,1-4H3,(H,15,17)
InChIKeyWCPCGHBAEJDEHE-UHFFFAOYSA-N
XLogP-0.02
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972
4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide
CID 66432872
N-tert-butyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 43499899
N-tert-butyl-2-[[(2R)-1-hydroxypropan-2-yl]amino]acetamide
CID 93083112
N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 66136137
tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate
CID 102730359
N-tert-butyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159964
4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide
CID 113495658
tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate
CID 102730417
(3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol
CID 103871778
2-(4-hydroxybutan-2-ylamino)-N-(2-methylbutan-2-yl)propanamide
CID 83176935
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide
CID 107442563

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide (CID 83177401) is 4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide is CC(CCO)NC(CN)CC(=O)NC(C)(C)C.
What is the InChIKey of 4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide?
The InChIKey is WCPCGHBAEJDEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-9(5-6-16)14-10(8-13)7-11(17)15-12(2,3)4/h9-10,14,16H,5-8,13H2,1-4H3,(H,15,17).
What are the key properties of 4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide?
4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide has a molecular weight of 245.37 g/mol, XLogP of -0.02, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide is sourced from PubChem (CID 83177401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).