2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide

C9H21N3O2 — CID 106294471

IUPAC2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide
SMILESCCCC(C)(O)CNCC(N)C(N)=O
InChIInChI=1S/C9H21N3O2/c1-3-4-9(2,14)6-12-5-7(10)8(11)13/h7,12,14H,3-6,10H2,1-2H3,(H2,11,13)
InChIKeyQSJHZGBIEVFVAM-UHFFFAOYSA-N
MW203.29 g/mol
LogP-1.06
Rot. Bonds7

About 2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide

2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide (PubChem CID 106294471) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide
PubChem CID106294471
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide
SMILESCCCC(C)(O)CNCC(N)C(N)=O
InChIInChI=1S/C9H21N3O2/c1-3-4-9(2,14)6-12-5-7(10)8(11)13/h7,12,14H,3-6,10H2,1-2H3,(H2,11,13)
InChIKeyQSJHZGBIEVFVAM-UHFFFAOYSA-N
XLogP-1.06
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-methylpentan-2-ylamino)propanamide
CID 103264433
1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol
CID 106291003
2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid
CID 106257307
2-amino-3-(butylamino)propanamide
CID 103232681
1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol
CID 106292529
(2R)-2-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292244
2-amino-3-(2-ethylbutylamino)propanamide
CID 103267063
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048
1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 114169381
2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide
CID 103260238
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292069
3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide
CID 106293108

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide?
The IUPAC name of 2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide (CID 106294471) is 2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide.
What is the SMILES notation for 2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide?
The canonical SMILES for 2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide is CCCC(C)(O)CNCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide?
The InChIKey is QSJHZGBIEVFVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-3-4-9(2,14)6-12-5-7(10)8(11)13/h7,12,14H,3-6,10H2,1-2H3,(H2,11,13).
What are the key properties of 2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide?
2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide has a molecular weight of 203.29 g/mol, XLogP of -1.06, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide is sourced from PubChem (CID 106294471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).