(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride

C10H22ClN3O2 — CID 119296292

IUPAC(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)NCC(C)(C)C(N)=O.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-6(2)7(11)8(14)13-5-10(3,4)9(12)15;/h6-7H,5,11H2,1-4H3,(H2,12,15)(H,13,14);1H/t7-;/m0./s1
InChIKeyGLNWYTXTLNAPGF-FJXQXJEOSA-N
MW251.76 g/mol
LogP0.02
Rot. Bonds5

About (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride

(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride (PubChem CID 119296292) has the molecular formula C10H22ClN3O2 and a molecular weight of 251.76 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride
PubChem CID119296292
Molecular FormulaC10H22ClN3O2
Molecular Weight251.76 g/mol
Exact Mass251.14
IUPAC Name(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)NCC(C)(C)C(N)=O.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-6(2)7(11)8(14)13-5-10(3,4)9(12)15;/h6-7H,5,11H2,1-4H3,(H2,12,15)(H,13,14);1H/t7-;/m0./s1
InChIKeyGLNWYTXTLNAPGF-FJXQXJEOSA-N
XLogP0.02
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119736012
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
CID 61250015
(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79551034
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide
CID 114167246
(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide
CID 63865932
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide
CID 103797840
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
CID 79011495
(2R)-2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methylbutanamide
CID 79013078
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride
CID 119296279
(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
CID 106254016
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride (CID 119296292) is (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride is CC(C)[C@H](N)C(=O)NCC(C)(C)C(N)=O.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride?
The InChIKey is GLNWYTXTLNAPGF-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H21N3O2.ClH/c1-6(2)7(11)8(14)13-5-10(3,4)9(12)15;/h6-7H,5,11H2,1-4H3,(H2,12,15)(H,13,14);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride?
(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119296292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).