2-amino-3-(3-ethylpentan-2-ylamino)propanamide

C10H23N3O — CID 103250759

IUPAC2-amino-3-(3-ethylpentan-2-ylamino)propanamide
SMILESCCC(CC)C(C)NCC(N)C(N)=O
InChIInChI=1S/C10H23N3O/c1-4-8(5-2)7(3)13-6-9(11)10(12)14/h7-9,13H,4-6,11H2,1-3H3,(H2,12,14)
InChIKeyWZBAXFBIPVNWBU-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.21
Rot. Bonds7

About 2-amino-3-(3-ethylpentan-2-ylamino)propanamide

2-amino-3-(3-ethylpentan-2-ylamino)propanamide (PubChem CID 103250759) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-amino-3-(3-ethylpentan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(3-ethylpentan-2-ylamino)propanamide
PubChem CID103250759
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-amino-3-(3-ethylpentan-2-ylamino)propanamide
SMILESCCC(CC)C(C)NCC(N)C(N)=O
InChIInChI=1S/C10H23N3O/c1-4-8(5-2)7(3)13-6-9(11)10(12)14/h7-9,13H,4-6,11H2,1-3H3,(H2,12,14)
InChIKeyWZBAXFBIPVNWBU-UHFFFAOYSA-N
XLogP0.21
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethylpentan-2-ylamino)-2-methylpropanamide
CID 63839004
2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide
CID 103238893
(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide
CID 79023204
2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
CID 106162327
2-amino-3-(hexan-2-ylamino)propanamide
CID 103248372
2-amino-3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]propanamide
CID 103262824
2-amino-3-(2-ethylbutylamino)propanamide
CID 103267063
2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide
CID 103237040
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048
2-amino-3-(pent-4-yn-2-ylamino)propanamide
CID 103266012
2-amino-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propanamide
CID 103245104
2-aminobutanamide;hydrochloride
CID 14333659

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-ethylpentan-2-ylamino)propanamide?
The IUPAC name of 2-amino-3-(3-ethylpentan-2-ylamino)propanamide (CID 103250759) is 2-amino-3-(3-ethylpentan-2-ylamino)propanamide.
What is the SMILES notation for 2-amino-3-(3-ethylpentan-2-ylamino)propanamide?
The canonical SMILES for 2-amino-3-(3-ethylpentan-2-ylamino)propanamide is CCC(CC)C(C)NCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(3-ethylpentan-2-ylamino)propanamide?
The InChIKey is WZBAXFBIPVNWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-4-8(5-2)7(3)13-6-9(11)10(12)14/h7-9,13H,4-6,11H2,1-3H3,(H2,12,14).
What are the key properties of 2-amino-3-(3-ethylpentan-2-ylamino)propanamide?
2-amino-3-(3-ethylpentan-2-ylamino)propanamide has a molecular weight of 201.31 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-ethylpentan-2-ylamino)propanamide is sourced from PubChem (CID 103250759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).