(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide

C8H17N3O2 — CID 79011495

IUPAC(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCCC(N)=O
InChIInChI=1S/C8H17N3O2/c1-5(2)7(10)8(13)11-4-3-6(9)12/h5,7H,3-4,10H2,1-2H3,(H2,9,12)(H,11,13)/t7-/m1/s1
InChIKeyDVTQLECKIYPKHV-SSDOTTSWSA-N
MW187.24 g/mol
LogP-1.04
Rot. Bonds5

About (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide

(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide (PubChem CID 79011495) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
PubChem CID79011495
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCCC(N)=O
InChIInChI=1S/C8H17N3O2/c1-5(2)7(10)8(13)11-4-3-6(9)12/h5,7H,3-4,10H2,1-2H3,(H2,9,12)(H,11,13)/t7-/m1/s1
InChIKeyDVTQLECKIYPKHV-SSDOTTSWSA-N
XLogP-1.04
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
CID 103794522
2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
CID 115733718
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
(2S)-2-amino-N-(3-bromopropyl)-3-methylbutanamide
CID 139696005
N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide
CID 62728851
2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide
CID 112700885
3-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]propanoic acid
CID 170549773

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide (CID 79011495) is (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide is CC(C)[C@@H](N)C(=O)NCCC(N)=O.
What is the InChIKey of (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide?
The InChIKey is DVTQLECKIYPKHV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-5(2)7(10)8(13)11-4-3-6(9)12/h5,7H,3-4,10H2,1-2H3,(H2,9,12)(H,11,13)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide?
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide has a molecular weight of 187.24 g/mol, XLogP of -1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide is sourced from PubChem (CID 79011495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).